SCHEMBL4675314

SCHEMBL4675314

CCc1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2ccccc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
AGTR1 P30556 3/20 0.36
AGTR2 P50052 1/20 0.36
MAPT P10636 1/20 0.35
PTGER3 P43115 1/20 0.35
PPARG P37231 2/20 0.35
NTRK1 P04629 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOD2 Q9HC29 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4676205 0.91 CES1 (0.39) PTGDR2AGTR1AGTR2MAPTNTRK1
SCHEMBL4676001 0.88 ATM (0.39) PTGDR2MAPTNTRK1NPC1RAB9A
SCHEMBL4673425 0.88 TP53 (0.40) PTGDR2AGTR1MAPTTP53RXFP1
SCHEMBL4676497 0.86 MAPT (0.39) PTGDR2MAPTNTRK1TP53RXFP1
SCHEMBL4675583 0.86 P2RY14 (0.39) PTGDR2AGTR1AGTR2MAPTRAB9A
SCHEMBL4675435 0.85 PTGDR2 (0.39) PTGDR2AGTR1MAPTPPARGNTRK1
SCHEMBL4678513 0.85 TP53 (0.40) MAPTPTGER3PPARGTP53RXFP1
SCHEMBL4679072 0.85 KMT2A (0.39) PTGDR2AGTR1MAPTTP53RXFP1
SCHEMBL4671448 0.85 ATM (0.36) PTGDR2MAPTNTRK1TP53RXFP1
SCHEMBL4676718 0.83 MAPT (0.39) PTGDR2MAPTNTRK1TP53RXFP1

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 PTGDR2 4591/4885AGTR1 139/4885AGTR2 558/4885

“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.