SCHEMBL5311433

SCHEMBL5311433

Cc1cc2ccc3cc(C#N)cc(C(=O)c4ccccc4)c3n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL5309496 0.89 MAPK14 (0.40) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL5959269 0.87 ALDH1A1 (0.38) NPSR1F2PLGPLAUKLKB1
SCHEMBL5310994 0.82 F2 (0.39) NPSR1F2PLGPLAUKLKB1
SCHEMBL5258280 0.80 KDM4E (0.43) NPSR1MEN1KMT2AMAPTPGR
SCHEMBL5959301 0.80 FNTA (0.39) NPSR1F2PLGPLAUKLKB1
SCHEMBL5959210 0.80 AKR1C3 (0.35) MEN1KMT2AMAPTCRHBPMAPK1
SCHEMBL5261986 0.76 ESR1 (0.47) KMT2AALDH1A1
SCHEMBL5257355 0.76 SLC22A12 (0.38) F2PLGPLAUKLKB1PRSS1
SCHEMBL5959284 0.75 NPSR1 (0.37) NPSR1F2PLGPLAUKLKB1
SCHEMBL5256053 0.73 NSD2 (0.40) MEN1KMT2A

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 NPSR1 3153/4885F2 3515/4885PLG 1595/4885

“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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