SCHEMBL5312235

SCHEMBL5312235

COc1ccc(C(=O)c2cc(C#N)c3ccc4ccccc4n23)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ CDC25A P30304 2/20 0.40
▸ DUSP3 P51452 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ STS P08842 1/20 0.39

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
SCHEMBL5959226 0.89 THRB (0.43) POLBKDM4EKMT2APTPN1CDC25A
SCHEMBL5959209 0.87 MAPK1 (0.44) NPC1RAB9AKDM4EKMT2APTPN1
SCHEMBL5310989 0.87 PTPN1 (0.44) RAB9AKDM4EPTPN1CDC25ADUSP3
SCHEMBL5257352 0.86 PTPN1 (0.40) PTPN1CDC25ADUSP3MAPK1
SCHEMBL5959278 0.85 KMT2A (0.46) POLBKMT2APTPN1CDC25ADUSP3
SCHEMBL5308585 0.85 MAPK1 (0.39) KDM4EKMT2APTPN1CDC25ADUSP3
SCHEMBL5313502 0.85 LMNA (0.41) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL5256707 0.84 ALDH1A1 (0.45) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL5313966 0.83 MAPK1 (0.39) PTPN1CDC25ADUSP3MAPK1
SCHEMBL5313416 0.82 CES2 (0.40) KMT2APTPN1CDC25ADUSP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US claimed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US claimed
EP-1578424-A4 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A| QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2007-08-08 — — EP disclosed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US disclosed
EP-1578424-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2005-09-28 — — EP disclosed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US disclosed
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 — — 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 (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-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CASP3, CASP7, CASP1 NPC1 2572/4885RAB9A 716/4885POLB 2261/4885

“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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