SCHEMBL5313611

SCHEMBL5313611

COc1cccc(C(=O)c2cc(C#N)c3ccc4ccccc4n23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ STS P08842 2/20 0.43
▸ PTPN1 P18031 2/20 0.41
▸ CDC25A P30304 2/20 0.41
▸ DUSP3 P51452 2/20 0.41
▸ CDYL2 Q8N8U2 1/20 0.40
▸ CDYL Q9Y232 1/20 0.40

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
SCHEMBL5312235 0.90 NPC1 (0.42) KMT2AALDH1A1CES2CES1NPC1
SCHEMBL5256604 0.86 DYRK1A (0.47) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL5310989 0.86 PTPN1 (0.44) MAPTALDH1A1CNR2RAB9APTPN1
SCHEMBL5257252 0.85 PTPN1 (0.39) KMT2AMAPTALDH1A1PTPN1CDC25A
SCHEMBL5257242 0.85 PLA2G10 (0.45) KMT2AMAPTALDH1A1HTTPTPN1
SCHEMBL5959180 0.84 PTPN1 (0.39) KMT2AMAPTALDH1A1TP53HTT
SCHEMBL5260629 0.84 ESR1 (0.47) ALDH1A1SMN1; SMN2PTPN1CDC25ADUSP3
SCHEMBL5257604 0.83 CNR2 (0.48) KMT2AMAPTALDH1A1CNR2CES2
SCHEMBL5959226 0.83 THRB (0.43) KMT2AMAPTALDH1A1MEN1PTPN1
SCHEMBL5959209 0.81 MAPK1 (0.44) KMT2AMAPTALDH1A1NPC1RAB9A

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 KMT2A 1411/4885MAPT 4872/4885ALDH1A1 1061/4885

“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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