SCHEMBL4675654

SCHEMBL4675654

Cc1ccc(Cn2cc(C(=O)C=C(O)c3nc[nH]n3)cc2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.39
GPR35 Q9HC97 1/20 0.34
P2RY14 Q15391 6/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.32
MAPK10 P53779 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4675256 0.93 KDM4E (0.36) MCL1P2RY14ALDH1A1LMNABRD4
SCHEMBL5899399 0.91 P2RY14 (0.36) MCL1P2RY14ALDH1A1MAPK10
SCHEMBL4675068 0.91 SMN1; SMN2 (0.41) ALDH1A1LMNAMAPK10NPC1RAB9A
SCHEMBL4676801 0.91 LMNA (0.42) MCL1P2RY14ALDH1A1LMNABRD4
SCHEMBL4671188 0.90 EGLN1 (0.39) ALDH1A1LMNABRD4EGLN1
SCHEMBL4677160 0.90 CCR2 (0.30) ALDH1A1MAPK10
SCHEMBL4676074 0.90 CA12 (0.39) P2RY14ALDH1A1BRD4RAB9A
SCHEMBL4672821 0.89 USP2 (0.37) ALDH1A1BRD4MAPK10
SCHEMBL4674310 0.87 SMN1; SMN2 (0.40) ALDH1A1LMNAMAPK10NPC1RAB9A
SCHEMBL4676990 0.87 LMNA (0.42) MCL1P2RY14ALDH1A1LMNANPC1

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 MCL1 1362/4885GPR35 3452/4885P2RY14 3108/4885

“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.