SCHEMBL5313502

SCHEMBL5313502

N#Cc1cc(C(=O)c2ccc(F)cc2)n2c1ccc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPK1 P28482 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALPG P10696 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PTPN1 P18031 1/20 0.38

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 0.90 PTPN1 (0.44) LMNAMAPTKDM4ERAB9AMAPK1
SCHEMBL5257352 0.89 PTPN1 (0.40) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5959278 0.88 KMT2A (0.46) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL5959209 0.88 MAPK1 (0.44) LMNASMN1; SMN2MAPTHTTMEN1
SCHEMBL5959251 0.88 FNTA (0.44) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL5308585 0.88 MAPK1 (0.39) LMNASMN1; SMN2MAPTHTTMEN1
SCHEMBL5309491 0.86 LMNA (0.41) LMNASMN1; SMN2MAPTHTTMEN1
SCHEMBL5256707 0.85 ALDH1A1 (0.45) LMNASMN1; SMN2MAPTHTTMEN1
SCHEMBL5959226 0.85 THRB (0.43) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL5312235 0.85 NPC1 (0.42) LMNASMN1; SMN2MEN1KMT2AKDM4E

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 LMNA 84/4885SMN1; SMN2 2573/4885MAPT 4872/4885

“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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