SCHEMBL5879545

SCHEMBL5879545

O=c1[nH]c2ccccc2c(=O)c2ncccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.81
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
TNKS O95271 1/20 0.53
CYP1A2 P05177 1/20 0.53
GPR3 P46089 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP15 Q460N3 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL15338391 0.89 PARP1 (1.00) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL30910462 0.89 PARP1 (1.00) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL14933613 0.84 PARP1 (0.77) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL12750384 0.82 PARP1 (1.00) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL30748237 0.77
SCHEMBL21052453 0.77 PARP1 (0.71) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL30231234 0.77 PARP1 (0.71) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL2442863 0.76 PARP1 (0.69) PARP1KDM4EMEN1TNKSKMT2A
SCHEMBL3224273 0.75 PARP1 (0.75) PARP1KDM4EALDH1A1LMNAMEN1
SCHEMBL31453747 0.75 GAA (0.61) PARP1KDM4EALDH1A1LMNAMEN1

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 US disclosed
EP-1307443-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002014320-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 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-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B PARP1 2769/4885KDM4E 3784/4885ALDH1A1 3214/4885

“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.