SCHEMBL4676296

SCHEMBL4676296

O=C(C=C(O)c1nc[nH]n1)c1cnn(Cc2cccc(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.44
SCD5 Q86SK9 12/20 0.44
KLKB1 P03952 1/20 0.43
ALKBH1 Q13686 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4678760 0.89 KLKB1 (0.41) SCDSCD5KLKB1POLBTDP1
SCHEMBL4672069 0.88 LMNA (0.43) KLKB1ALKBH1
SCHEMBL4672655 0.85 KLKB1 (0.43) SCDSCD5KLKB1POLBTDP1
SCHEMBL4677701 0.83 KDM4C (0.42) SCDSCD5ALKBH1POLBTDP1
SCHEMBL4672090 0.83 KLKB1 (0.38) SCDSCD5KLKB1POLBTDP1
SCHEMBL4671994 0.83 KDM4E (0.40) KLKB1
SCHEMBL4673045 0.82 ALDH1A1 (0.46) SCDSCD5KLKB1ALKBH1TDP1
SCHEMBL4671889 0.82 KDM5A (0.38) SCDSCD5ALKBH1
SCHEMBL4674940 0.82 KLKB1 (0.42) KLKB1POLB
SCHEMBL5899403 0.82 ALKBH1 (0.40) ALKBH1TDP1

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 SCD 1687/4885SCD5 3234/4885KLKB1 3843/4885

“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.