SCHEMBL5879688

SCHEMBL5879688

O=c1[nH]c2ccccc2c(=O)c2sccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.53
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 3/20 0.53
TNKS O95271 3/20 0.53
TNKS2 Q9H2K2 3/20 0.53
LMNA P02545 2/20 0.53
PARP15 Q460N3 2/20 0.53
MEN1 O00255 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
HSD17B10 Q99714 1/20 0.53
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 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
SCHEMBL30273090 0.89 PARP1 (0.57) PARP1KDM4EALDH1A1TNKSTNKS2
SCHEMBL1450262 0.89 PARP1 (0.57) PARP1KDM4EALDH1A1TNKSTNKS2
SCHEMBL7343430 0.86 KDM4E (0.57) PARP1KDM4EALDH1A1TNKSTNKS2
SCHEMBL30273107 0.82 KDM4E (0.59) PARP1KDM4EALDH1A1TNKSTNKS2
SCHEMBL2546622 0.82 KDM4E (0.59) PARP1KDM4EALDH1A1TNKSTNKS2
Hydrochloric Acid SCHEMBL16858767 0.81 KDM4E (0.58) PARP1KDM4EALDH1A1TNKSTNKS2
Hydrochloric Acid SCHEMBL2571835 0.81 KDM4E (0.58) PARP1KDM4EALDH1A1TNKSTNKS2
SCHEMBL4178270 0.78 PARP1 (0.57) PARP1LMNASMN1; SMN2CSNK2A2CSNK2B
SCHEMBL17109319 0.77 PARP1 (0.55) PARP1KDM4EALDH1A1TNKSTNKS2
SCHEMBL13558618 0.76 PARP1 (0.53) PARP1KDM4EALDH1A1TNKSTNKS2

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 2 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

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.