SCHEMBL4674070

SCHEMBL4674070

CC(=O)c1ccc(Cc2ccc(CC(=O)C(=O)c3nc[nH]n3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.37
MAOB P27338 9/20 0.33
MAOA P21397 2/20 0.32
AR P10275 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HRH3 Q9Y5N1 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 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
SCHEMBL5899414 0.88 MEN1 (0.35) TSHRKMT2ALMNAALDH1A1HTT
SCHEMBL4672931 0.86 POLB (0.41) KMT2ALMNAL3MBTL1ALDH1A1HTT
SCHEMBL4671047 0.86 ALOX5 (0.36) KMT2ALMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4677837 0.86 TSHR (0.34) TSHRHRH3ALDH1A1
SCHEMBL4673370 0.86 ALOX5 (0.35) KMT2ALMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4674818 0.85 NAMPT (0.31) TSHRLMNAHRH3ALDH1A1
SCHEMBL4671048 0.84 TSHR (0.40) TSHRKMT2ALMNAMAOBMAOA
SCHEMBL4671419 0.84 KMT2A (0.40) TSHRKMT2ALMNAMAOBMAOA
SCHEMBL4675959 0.82 KMT2A (0.40) TSHRKMT2ALMNAMAOBMAOA
SCHEMBL4671700 0.82 TSHR (0.43) TSHRKMT2ALMNAMAOBKDM1A

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 TSHR 1614/4885KMT2A 597/4885LMNA 659/4885

“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.