SCHEMBL4674803

SCHEMBL4674803

COc1ccc(Cc2cc(CC(=O)C(=O)c3nc[nH]n3)c[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CPT1A P50416 1/20 0.35
SNCA P37840 1/20 0.35
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
DAO P14920 1/20 0.34
COMT P21964 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL4673183 0.91 POLB (0.38) KDM5AKDM5BPOLBMAPTMEN1
SCHEMBL4676475 0.89 DAO (0.34) SMN1; SMN2SNCADAO
SCHEMBL4675270 0.87 KMT2A (0.38) KMT2ALMNA
SCHEMBL4675442 0.87 HRH3 (0.37)
SCHEMBL4676578 0.87 DAO (0.34) MAPTSNCADAOLMNAGABRP
SCHEMBL4674124 0.86 HCAR2 (0.39) KDM5AKDM5BMEN1RAB9AKMT2A
SCHEMBL4670917 0.85 HRH4 (0.37) POLBMAPTSMN1; SMN2CPT1ASNCA
SCHEMBL4673640 0.84 KDM5A (0.42) KDM5AKDM5BPOLBSMN1; SMN2SAE1
SCHEMBL4679768 0.84 MAPK8 (0.41) KDM5AKDM5BMAPTLMNA
SCHEMBL4672663 0.81 KDM5A (0.37) KDM5AKDM5BPOLBMAPTMEN1

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 5 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
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 KDM5A 1534/4885KDM5B 1480/4885POLB 58/4885

“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.