SCHEMBL17708488

SCHEMBL17708488

COc1ccc(NC(=O)[C@H]2O[C@@H]2C(=O)N(Cc2ccc(F)cc2)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ HTT P42858 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ RAB9A P51151 7/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ MAPT P10636 6/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SCD O00767 3/20 0.45
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL19597254 0.94 KDM4E (0.56) KDM4EHTTL3MBTL1RAB9ANPC1
SCHEMBL16276109 0.94 KDM4E (0.56) KDM4EHTTL3MBTL1RAB9ANPC1
SCHEMBL16276371 0.91 NPC1 (0.51) KDM4EHTTL3MBTL1RAB9ANPC1
SCHEMBL16276301 0.91 NPC1 (0.55) KDM4EHTTL3MBTL1RAB9ANPC1
SCHEMBL16276192 0.91 NPC1 (0.57) KDM4EHTTRAB9ANPC1NFKB1
SCHEMBL16276200 0.90 NPC1 (0.52) KDM4EHTTL3MBTL1RAB9ANPC1
SCHEMBL16276155 0.89 NPC1 (0.52) KDM4EHTTRAB9ANPC1NFKB1
SCHEMBL16276196 0.89 NPC1 (0.53) KDM4EHTTRAB9ANPC1NFKB1
SCHEMBL17708494 0.88 NPC1 (0.51) KDM4EHTTRAB9ANPC1NFKB1
SCHEMBL16276348 0.87 NPC1 (0.53) KDM4EHTTRAB9ANPC1NFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006432-B1 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-11-15 — — EP disclosed
US-9630957-B2 2,3-butanediamide epoxide compound and preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-04-25 — — US disclosed
US-20160115160-A1 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-04-28 — — 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 (1 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-20160115160-A1 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof ECE2, GNE, EPHX2 KDM4E 883/4885HTT 4644/4885L3MBTL1 3431/4885

“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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