SCHEMBL4676829

SCHEMBL4676829

O=C(C=C(O)c1nc[nH]n1)c1[nH]ncc1Cc1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
HCAR3 P49019 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
VNN1 O95497 1/20 0.32
BRS3 P32247 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 2/20 0.31
ALKBH1 Q13686 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RIPK1 Q13546 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
MAPT P10636 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
SCHEMBL4672849 0.84 MAPT (0.34) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4674076 0.83 HRH4 (0.36) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL4671440 0.83 CES1 (0.34) ARHCAR3MEN1KMT2ARXFP1
SCHEMBL4671771 0.82 HCAR2 (0.42) BRS3MAPK1
SCHEMBL4677069 0.81 KMT2A (0.33) ARHCAR3MEN1KMT2ARXFP1
SCHEMBL4670983 0.81 CCR5 (0.33) ALDH1A1HPGDMAPT
SCHEMBL4676073 0.80 MEN1 (0.32) ARHCAR3MEN1KMT2ARXFP1
SCHEMBL4677457 0.80 KDM4E (0.35) ARHCAR3MEN1KMT2ARXFP1
SCHEMBL5899351 0.80 MEN1 (0.34) ARHCAR3MEN1KMT2ARXFP1
SCHEMBL4674678 0.80 HCAR3 (0.39) ARHCAR3MEN1KMT2ARXFP1

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 AR 10/4885HCAR3 223/4885MEN1 4663/4885

“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.