SCHEMBL4678071

SCHEMBL4678071

O=C(C=C(O)c1nc[nH]n1)c1cc(Cc2ccc(Cl)cc2)co1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.35
LMNA P02545 2/20 0.33
SMPD1 P17405 1/20 0.32
RHEB Q15382 3/20 0.32
BRS3 P32247 1/20 0.31
CHEK2 O96017 1/20 0.31
KDM4A O75164 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
SNCA P37840 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL4679147 0.90 PTGER4 (0.35) KDM4CLMNAKDM4AKDM5BL3MBTL1
SCHEMBL4673435 0.89 LMNA (0.36) LMNABRS3L3MBTL1
SCHEMBL4673317 0.89 SRD5A2 (0.33) BRS3CYP1A2SMN1; SMN2
SCHEMBL4678209 0.89 ALDH1A1 (0.30)
SCHEMBL4673040 0.89 HCAR2 (0.40) KDM4CLMNABRS3KDM4AKDM5B
SCHEMBL4676930 0.88 CYP1A2 (0.32) LMNACYP1A2CYP2D6
SCHEMBL4671753 0.87 KDM5A (0.39) BRS3KDM5BSMN1; SMN2
SCHEMBL4674503 0.87 KMT2A (0.40) LMNAL3MBTL1SMN1; SMN2
SCHEMBL4671979 0.86 KDM5A (0.38) KDM4CKDM5BSNCA
SCHEMBL4676464 0.84 BRS3 (0.35) KDM4CLMNABRS3KDM4AKDM5B

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 KDM4C 785/4885LMNA 659/4885SMPD1 4715/4885

“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.