SCHEMBL4671670

SCHEMBL4671670

O=C(C=C(O)c1nc[nH]n1)c1cc(C(=O)c2ccccc2)n(Cc2ccccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 4/20 0.41
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
VNN1 O95497 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.35
ALKBH1 Q13686 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
NOD2 Q9HC29 1/20 0.32
PPARG P37231 1/20 0.32
GAA P10253 1/20 0.32
CASP3 P42574 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
SCHEMBL4677986 0.94 TP53 (0.42) TP53RXFP1MAPTKDM5AKDM5B
SCHEMBL4672342 0.93 KDM5A (0.38) TP53RXFP1MAPTKDM5AKDM5B
SCHEMBL4673252 0.90 KDM5A (0.41) TP53RXFP1MAPTKDM5AKDM5B
SCHEMBL4673645 0.88 TP53 (0.40) TP53RXFP1MAPTSMN1; SMN2KDM4E
SCHEMBL4670976 0.87 POLB (0.43) TP53RXFP1KDM5AKDM5BKDM4A
SCHEMBL4671365 0.85 KDM4C (0.39) KDM4CSMN1; SMN2BRD4ALKBH1ALDH1A1
SCHEMBL4676718 0.85 MAPT (0.39) TP53RXFP1MAPTKDM5AKDM5B
SCHEMBL4671233 0.85 TP53 (0.40) TP53RXFP1MAPTSMN1; SMN2KDM4E
SCHEMBL4671392 0.84 CCNC (0.39) MAPTKDM5AKDM5BKDM4CSMN1; SMN2
SCHEMBL4674681 0.84 KDM4C (0.39) MAPTKDM4CSMN1; SMN2BRD4KDM4E

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 7 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-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
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 TP53 999/4885RXFP1 3339/4885MAPT 205/4885

“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.