SCHEMBL4678600

SCHEMBL4678600

O=C(C=C(O)c1nc[nH]n1)c1ccc(Cc2ccc(Cl)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PTGER1 P34995 2/20 0.36
KDM4E B2RXH2 3/20 0.35
PRMT5 O14744 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4678961 0.92 PTGER1 (0.36) HSD17B10SMN1; SMN2NPC1POLBRAB9A
SCHEMBL4672893 0.91 SMN1; SMN2 (0.34) HSD17B10SMN1; SMN2NPC1POLBRAB9A
S-1360 SCHEMBL10070153 0.90 CYP1A2 (0.36) SMN1; SMN2NPC1POLBRAB9AKDM4E
S-1360 SCHEMBL3221454 0.90 CYP1A2 (0.36) SMN1; SMN2NPC1POLBRAB9AKDM4E
SCHEMBL4671675 0.90 LMNA (0.34) HSD17B10SMN1; SMN2NPC1POLBRAB9A
SCHEMBL4676637 0.90 ELANE (0.33) HSD17B10SMN1; SMN2ALDH1A1HTTGAA
SCHEMBL4672873 0.90 ALDH1A1 (0.41) SMN1; SMN2NPC1POLBRAB9AKDM4E
S-1360 SCHEMBL6853679 0.89 CYP1A2 (0.35) SMN1; SMN2NPC1POLBRAB9AKDM4E
SCHEMBL4672952 0.88 HCAR2 (0.41) NPC1POLBRAB9AMRGPRX4PTGER1
SCHEMBL4675956 0.88 KMT2A (0.38) SMN1; SMN2NPC1POLBRAB9AKDM4E

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 8 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-6831177-B1 Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives SHIONOGI & CO., LTD. (JP) 2004-12-14 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
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN 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 HSD17B10 241/4885SMN1; SMN2 4107/4885NPC1 934/4885

“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.