SCHEMBL5959280

SCHEMBL5959280

N#Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CES1 P23141 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37
▸ MGAM O43451 1/20 0.37
▸ AMY1A P0DUB6 1/20 0.37
▸ SI P14410 1/20 0.37

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
SCHEMBL5310989 0.86 PTPN1 (0.44) MAPK1ALDH1A1MAPTLMNAELANE
SCHEMBL5257352 0.85 PTPN1 (0.40) MAPK1SRD5A2
SCHEMBL5313502 0.84 LMNA (0.41) POLBMAPK1GAAALDH1A1MAPT
SCHEMBL5308585 0.84 MAPK1 (0.39) MAPK1CES1CES2GAAALDH1A1
SCHEMBL5959278 0.84 KMT2A (0.46) POLBMAPK1GAAALDH1A1MAPT
SCHEMBL5959209 0.84 MAPK1 (0.44) MAPK1GAAALDH1A1MAPTMEN1
SCHEMBL5313966 0.82 MAPK1 (0.39) MAPK1GAA
SCHEMBL5256707 0.81 ALDH1A1 (0.45) POLBMAPK1GAAALDH1A1MAPT
SCHEMBL5313416 0.81 CES2 (0.40) MAPK1CES1CES2GAAALDH1A1
SCHEMBL5959226 0.81 THRB (0.43) POLBMAPK1GAAALDH1A1MAPT

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 4 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
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US 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

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 POLB 2261/4885MAPK1 522/4885CES1 962/4885

“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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