SCHEMBL5308246

SCHEMBL5308246

N#Cc1cc(C(=O)c2ccccc2CBr)n2c1ccc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 4/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ CDC25A P30304 2/20 0.35
▸ DUSP3 P51452 2/20 0.35
▸ GALR3 O60755 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CMA1 P23946 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ STAT3 P40763 1/20 0.31

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
SCHEMBL5339481 0.87 MAPK1 (0.38) MAPK1ALDH1A1SMN1; SMN2TSHRPTPN1
SCHEMBL5259282 0.86 SLC6A4 (0.41) MAPK1ALDH1A1SMN1; SMN2TSHRPTPN1
SCHEMBL5260771 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL5259831 0.82 MAPK1 (0.47) MAPK1ALDH1A1SMN1; SMN2TSHRPTPN1
SCHEMBL5313416 0.82 CES2 (0.40) MAPK1ALDH1A1PTPN1CDC25ADUSP3
SCHEMBL5310989 0.79 PTPN1 (0.44) MAPK1ALDH1A1TSHRPTPN1CDC25A
SCHEMBL5959278 0.78 KMT2A (0.46) MAPK1ALDH1A1SMN1; SMN2PTPN1CDC25A
SCHEMBL5257352 0.76 PTPN1 (0.40) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5959180 0.76 PTPN1 (0.39) MAPK1ALDH1A1TSHRPTPN1CDC25A
SCHEMBL5256604 0.75 DYRK1A (0.47) MAPK1ALDH1A1SMN1; SMN2PTPN1CDC25A

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 5 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 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 MAPK1 522/4885ALDH1A1 1061/4885SMN1; SMN2 2573/4885

“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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