SCHEMBL5257252

SCHEMBL5257252

N#Cc1cc(C(=O)c2cccc(OCCO)c2)n2c1ccc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.39
▸ CDC25A P30304 2/20 0.39
▸ DUSP3 P51452 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36

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
SCHEMBL5260629 0.88 ESR1 (0.47) PTPN1CDC25ADUSP3ALDH1A1
SCHEMBL5257242 0.88 PLA2G10 (0.45) PTPN1CDC25ADUSP3ALDH1A1MAPT
SCHEMBL5313611 0.85 KMT2A (0.48) PTPN1CDC25ADUSP3ALDH1A1MAPT
SCHEMBL5259771 0.84 KDM4E (0.46) HRH3
SCHEMBL5256604 0.82 DYRK1A (0.47) PTPN1CDC25ADUSP3ALDH1A1MAPT
SCHEMBL5310989 0.82 PTPN1 (0.44) PTPN1CDC25ADUSP3ALDH1A1MAPT
SCHEMBL5959180 0.81 PTPN1 (0.39) PTPN1CDC25ADUSP3GAAALDH1A1
SCHEMBL5312235 0.78 NPC1 (0.42) PTPN1CDC25ADUSP3ALDH1A1KMT2A
SCHEMBL5258277 0.77 KDM4E (0.49) PTPN1CDC25ADUSP3ALDH1A1MAPT
SCHEMBL5257352 0.77 PTPN1 (0.40) PTPN1CDC25ADUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US claimed
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 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
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 — — WO 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 PTPN1 578/4885CDC25A 31/4885DUSP3 3852/4885

“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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