SCHEMBL20553480

SCHEMBL20553480

CN(CC(O)COc1ccccc1)c1cccc(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CETP P11597 1/20 0.43
▸ CYP2D6 P10635 3/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41

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
SCHEMBL303475 0.84 ENPP2 (0.43) PRMT5WDR77ALDH1A1CETP
SCHEMBL11505627 0.84 HIF1A (0.55) HIF1APOLBCYP2D6CDK4LMNA
SCHEMBL29129745 0.75 HIF1A (0.50) HIF1APOLBALDH1A1TSHRCYP2D6
SCHEMBL6264190 0.73 HIF1A (0.57) HIF1APOLBALDH1A1CYP2D6CDK4
SCHEMBL258823 0.73 HIF1A (0.75) HIF1APOLBALDH1A1CYP2D6CDK4
SCHEMBL13736137 0.72 GBA1 (0.44) ALDH1A1
SCHEMBL21792721 0.72 POLB (0.54) HIF1APOLBALDH1A1TSHRCYP2D6
SCHEMBL10838063 0.72 HIF1A (0.51) HIF1APOLBPRMT5WDR77ALDH1A1
SCHEMBL20553483 0.71 SLC6A2 (0.38) CETP
SCHEMBL9379744 0.70 AOC3 (0.50) ALDH1A1TSHRCETPMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 — — CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 — — US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — US disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — WO 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 (3 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 HIF1A 4311/4885POLB 2163/4885PRMT5 2311/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 HIF1A 4311/4885POLB 2163/4885PRMT5 2311/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A HIF1A 4527/4885POLB 2006/4885PRMT5 1322/4885

“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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