SCHEMBL4677008

SCHEMBL4677008

O=C(O)c1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2cccc(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.40
ALKBH1 Q13686 1/20 0.39
FFAR2 O15552 1/20 0.38
P2RY14 Q15391 1/20 0.37
PTGER4 P35408 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NTRK1 P04629 1/20 0.36
PIN1 Q13526 1/20 0.35
DBH P09172 1/20 0.35
NLRP3 Q96P20 1/20 0.35
NR4A2 P43354 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4676597 0.93 KDM4C (0.37) KDM4CALKBH1FFAR2P2RY14PTGER4
SCHEMBL4674956 0.92 POLB (0.38) KDM4CFFAR2PTGER4PTGDR2NTRK1
SCHEMBL4671402 0.89 CA12 (0.42) KDM4CALKBH1P2RY14KDM5AKDM5B
SCHEMBL4672190 0.89 KDM4C (0.38) KDM4CFFAR2P2RY14PTGER4PTGDR2
SCHEMBL4675435 0.89 PTGDR2 (0.39) KDM4CFFAR2P2RY14PTGDR2NTRK1
SCHEMBL5899410 0.89 CES1 (0.39) KDM4CFFAR2P2RY14PTGER4PTGDR2
SCHEMBL4674244 0.89 OPRD1 (0.39) P2RY14PTGDR2ALDH1A1LMNASMN1; SMN2
SCHEMBL4676065 0.88 CA12 (0.43) FFAR2PTGDR2HCAR2NTRK1DBH
SCHEMBL4675836 0.86 PTGDR2 (0.38) P2RY14PTGDR2ALDH1A1LMNASMN1; SMN2
SCHEMBL4672204 0.85 ALKBH1 (0.43) KDM4CALKBH1P2RY14PTGER4KDM5A

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 4 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

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 KDM4C 785/4885ALKBH1 333/4885FFAR2 2618/4885

“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.