SCHEMBL4680981

SCHEMBL4680981

CC(=O)c1ccc(Cc2cc[nH]c2CC(=O)C(=O)c2nc[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 4/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
MAOB P27338 6/20 0.32
MAOA P21397 1/20 0.31
AR P10275 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
SCHEMBL4673751 0.91 KMT2A (0.38) KMT2ALMNAHRH3TSHRL3MBTL1
SCHEMBL4674656 0.89 SRD5A2 (0.32) KMT2AL3MBTL1GAA
SCHEMBL4671699 0.88 HRH3 (0.38) KMT2AHRH3L3MBTL1GAA
SCHEMBL4673752 0.87 POLB (0.36) KMT2AHTTSMN1; SMN2GAA
SCHEMBL4673432 0.87 HTR6 (0.33) HRH3
SCHEMBL4673347 0.87 MAPT (0.33) LMNAL3MBTL1
SCHEMBL4677472 0.86 SMN1; SMN2 (0.33) KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL4679172 0.85 HRH4 (0.31) LMNAHRH3ALDH1A1SMN1; SMN2
SCHEMBL4672961 0.83 KMT2A (0.41) KMT2ALMNAHRH3TSHRL3MBTL1
SCHEMBL4675211 0.83 XDH (0.40) KMT2ALMNATSHR

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 KMT2A 597/4885LMNA 659/4885HRH3 471/4885

“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.