SCHEMBL3217883

SCHEMBL3217883

O=C(O)c1ccnc(C(O)=CC(=O)c2ccc(Cc3ccc(F)cc3)o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 17/20 0.42
KDM5B Q9UGL1 17/20 0.42
KDM4C Q9H3R0 15/20 0.42
KDM2B Q8NHM5 5/20 0.42
KDM4A O75164 4/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM6B O15054 1/20 0.42
TET3 O43151 1/20 0.42
BBOX1 O75936 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KDM5C P41229 1/20 0.42
ASPH Q12797 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
KDM7A Q6ZMT4 1/20 0.42
KDM8 Q8N371 1/20 0.42
TET1 Q8NFU7 1/20 0.42
EGLN2 Q96KS0 1/20 0.42

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
SCHEMBL4675907 0.89 KDM5B (0.46) KDM5AKDM5BKDM4CKDM4EKDM6B
SCHEMBL7828859 0.86 KDM5A (0.43) KDM5AKDM5BKDM4CKDM2BKDM4A
SCHEMBL4672661 0.83 P4HTM (0.40) KDM4EALDH1A1MAPTNR4A2
SCHEMBL3220602 0.83 MEN1 (0.40) KDM4EMAPT
SCHEMBL3225906 0.82 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL7828860 0.82 KDM5A (0.41) KDM5AKDM5BKDM4CKDM2BKDM4A
SCHEMBL3220721 0.82 L3MBTL1 (0.43) KDM4EALDH1A1
SCHEMBL3216621 0.80 CYP1A2 (0.41) KDM4EALDH1A1MAPT
SCHEMBL3224649 0.80 LMNA (0.34) KDM4EALDH1A1MAPT
SCHEMBL3220743 0.80 TRPM8 (0.39) ALDH1A1MAPTEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068695-A1 Inhibitor for enzyme having two divalent metal ions as active center KIYAMA RYUICHI 2010-03-18 US disclosed
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-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 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
US-20030171406-A1 Medicinal compositions containing propenone derivatives SHIONOGI & CO., LTD (JP) 2003-09-11 US disclosed
EP-1297834-A1 INHIBITOR FOR ENZYME HAVING TWO DIVALENT METAL IONS AS ACTIVE CENTERS SHIONOGI & CO., LTD. (JP) 2003-04-02 EP disclosed
EP-1295879-A1 MEDICINAL COMPOSITIONS CONTAINING PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2003-03-26 EP 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 (2 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 1480/4885KDM4C 785/4885
US-20030171406-A1 Medicinal compositions containing propenone derivatives RPL17, EBP, SERPINB1 KDM5A 4098/4885KDM5B 3933/4885KDM4C 4266/4885

“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.