SCHEMBL8225214

SCHEMBL8225214

CC(C)n1nnc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39
▸ TUBA1C Q9BQE3 1/20 0.39
▸ TUBB6 Q9BUF5 1/20 0.39
▸ TUBB2B Q9BVA1 1/20 0.39
▸ TUBB1 Q9H4B7 1/20 0.39
▸ FAAH O00519 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25504216 0.86 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TUBB4A
SCHEMBL1888479 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TUBB4A
SCHEMBL1888482 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TUBB4A
SCHEMBL19131836 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19SMN1; SMN2HPGD
SCHEMBL8256698 0.75 SLC9A1 (0.50) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL31289323 0.75 SLC9A1 (0.50) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL13173782 0.74 KDM1A (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13488484 0.74 FAAH (0.39) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TUBB4A
SCHEMBL24983450 0.74 SLC9A1 (0.40) FAAHMGLLSLC9A1
SCHEMBL13057368 0.73 CYP1A2 (0.40) ALDH1A1CYP1A2CYP2C19SMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-11788080-B2 Modified cleavases, uses thereof and related kits Encodia, Inc. (US) 2023-10-17 — — US disclosed
US-20230321109-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES REGENERON PHARMA (US) 2023-10-12 — — US disclosed
US-20230321109-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES REGENERON PHARMA (US) 2023-10-12 — — US disclosed
US-11708381-B2 Inhibitors of androgen receptor signaling XAVIER UNIVERSITY OF LOUISIANA (US) 2023-07-25 — — US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 — — US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 — — US disclosed
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-30 — — US disclosed
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-30 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20160354482-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. 2016-12-08 — — US disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20090317326-A1 RADIOFLUORINATION METHODS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-24 — — US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist SCHERING CORPORATION 2007-07-12 — — US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ALDH1A1 3598/4885CYP1A2 4509/4885CYP2C19 4349/4885
US-20160354482-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES CD22, HDAC6, NR1H4 ALDH1A1 2832/4885CYP1A2 868/4885CYP2C19 761/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R ALDH1A1 3184/4885CYP1A2 1023/4885CYP2C19 1435/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ALDH1A1 2151/4885CYP1A2 3086/4885CYP2C19 3490/4885
US-11708381-B2 Inhibitors of androgen receptor signaling AR, ESRRA, ESRRB ALDH1A1 2589/4885CYP1A2 4177/4885CYP2C19 4749/4885
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof GABRR1, GABRB1, GABRD ALDH1A1 1040/4885CYP1A2 243/4885CYP2C19 192/4885
US-20230321109-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES CD22, HDAC6, NR1H4 ALDH1A1 2832/4885CYP1A2 868/4885CYP2C19 761/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS ALDH1A1 3598/4885CYP1A2 4509/4885CYP2C19 4349/4885
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist NR1H4, NR1H3, NR1H2 ALDH1A1 2512/4885CYP1A2 1440/4885CYP2C19 3610/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ALDH1A1 1333/4885CYP1A2 492/4885CYP2C19 628/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK ALDH1A1 612/4885CYP1A2 1007/4885CYP2C19 213/4885
US-20090317326-A1 RADIOFLUORINATION METHODS CDC73, TMEM14C, FLI1 ALDH1A1 382/4885CYP1A2 353/4885CYP2C19 926/4885
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 ALDH1A1 1591/4885CYP1A2 38/4885CYP2C19 211/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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