SCHEMBL4671165

SCHEMBL4671165

Cc1ccc(Cc2csc(CC(=O)C(=O)c3nc[nH]n3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4671892 0.91 BCHE (0.37) BCHEALDH1A1TDP1RAB9AL3MBTL1
SCHEMBL4675409 0.89 KMT2A (0.37) BCHERAB9AKMT2A
SCHEMBL5899379 0.89 HDAC1 (0.43) ALDH1A1RAB9AMEN1KMT2APOLB
SCHEMBL4672336 0.89 HDAC6 (0.39) BCHEALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL4675488 0.89 HDAC1 (0.39) L3MBTL1
SCHEMBL4676893 0.89 HDAC1 (0.42) ALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL5899406 0.88 HDAC1 (0.32) BCHEALDH1A1TDP1KMT2A
SCHEMBL4679324 0.83 ALDH1A1 (0.39) BCHEALDH1A1TDP1RAB9AL3MBTL1
SCHEMBL4678623 0.81 HDAC1 (0.43) BCHEKMT2APOLB
SCHEMBL4674596 0.81 LMNA (0.47) ALDH1A1RAB9AMEN1KMT2APOLB

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 BCHE 431/4885ALDH1A1 980/4885TDP1 306/4885

“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.