SCHEMBL4677748

SCHEMBL4677748

O=C(C=C(O)c1nc[nH]n1)c1cc(COc2ccccc2)n(Cc2ccncc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 2/20 0.35
ALDH1A1 P00352 5/20 0.34
USP2 O75604 1/20 0.34
MAPK10 P53779 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MAPK1 P28482 3/20 0.33
GPR132 Q9UNW8 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32

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
SCHEMBL5899407 0.89 USP2 (0.39) ALDH1A1USP2MAPK10CCNCCDK8
SCHEMBL4674569 0.88 ERCC5 (0.36) ALKBH1ALDH1A1USP2MAPK10CCNC
SCHEMBL4676986 0.87 PARP10 (0.36) ALKBH1ALDH1A1GPR132MEN1KMT2A
SCHEMBL4675058 0.86 CCNC (0.38) ALKBH1ALDH1A1USP2CCNCCDK8
SCHEMBL4671392 0.83 CCNC (0.39) ALDH1A1USP2MAPK10CCNCCDK8
SCHEMBL4672821 0.83 USP2 (0.37) ALDH1A1USP2MAPK10CCNCCDK8
SCHEMBL4672995 0.80 CCNC (0.39) ALKBH1ALDH1A1USP2MAPK10CCNC
SCHEMBL5899342 0.80 MAPK10 (0.38) ALDH1A1USP2MAPK10CCNCCDK8
SCHEMBL4678065 0.80 ALDH1A1 (0.35) ALDH1A1MAPK10MAPTSMN1; SMN2RAB9A
SCHEMBL4676226 0.79 CCNC (0.41) ALDH1A1USP2MAPK10CCNCCDK8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 ALKBH1 333/4885ALDH1A1 980/4885USP2 3545/4885

“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.