SCHEMBL4674016

SCHEMBL4674016

Cc1ccc(Cc2cc(C(=O)C=C(O)c3nc[nH]n3)[nH]n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
TP53 P04637 1/20 0.38
ALPL P05186 2/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
NOTUM Q6P988 1/20 0.33
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SRD5A2 P31213 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
SCHEMBL4672697 0.89 MAPT (0.38) MAPTTP53ALPLMAPK1RAB9A
SCHEMBL4673283 0.89 KMT2A (0.37) HTTMEN1KMT2A
SCHEMBL4677798 0.89 ALPL (0.34) ALPL
SCHEMBL4672128 0.89 ALPL (0.34) MAPTALPLMAPK1HPGDKDM4E
SCHEMBL4677813 0.88 CYP1A2 (0.32) MAPTPOLBMAPK1HPGD
SCHEMBL4672164 0.83 MAPT (0.36) MAPTTP53ALPLPOLBMAPK1
SCHEMBL4673085 0.82 HCAR2 (0.42) POLBMAPK1
SCHEMBL4674537 0.80 PIN1 (0.38) POLBMAPK1RAB9AHTTMEN1
SCHEMBL4670636 0.80 MAPT (0.40) MAPTTP53ALPLPOLBMAPK1
SCHEMBL4674678 0.79 HCAR3 (0.39) RAB9AHTTMEN1KMT2AKDM4E

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 MAPT 205/4885TP53 999/4885ALPL 1995/4885

“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.