SCHEMBL4671573

SCHEMBL4671573

CCc1cn(Cc2ccc(F)cc2)cc1C(=O)C=C(O)c1nc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
KDM4A O75164 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.32
P2RY14 Q15391 1/20 0.32
S1PR5 Q9H228 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL4674969 0.92 KDM4A (0.34) KDM5AKDM4CKDM5BKDM4ACA12
SCHEMBL5899377 0.91 NPC1 (0.34) S1PR5SMN1; SMN2PTGDR2
SCHEMBL4674474 0.89 CDK5 (0.38) KDM4ERAB9A
SCHEMBL4676977 0.89 HCAR2 (0.33) KDM4E
SCHEMBL4672550 0.89 KDM4C (0.39) KDM4CP2RY14
SCHEMBL4678111 0.89 CNR1 (0.34) KDM5AKDM4CKDM5BKDM4ACA12
SCHEMBL4677400 0.85 KDM4A (0.37) KDM5AKDM4CKDM5BKDM4AKDM4E
SCHEMBL4675803 0.84 MAPT (0.33) KDM5AKDM4CKDM5BKDM4ACA12
SCHEMBL4675038 0.82 S1PR1 (0.32) KDM5AKDM4CKDM5BCA12CA1
SCHEMBL4671420 0.81 KDM4E (0.36) KDM4CKDM4EALDH1A1HPGDSMN1; SMN2

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-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
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 1534/4885KDM4C 785/4885KDM5B 1480/4885

“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.