SCHEMBL6543397

SCHEMBL6543397

COc1ccc(C)cc1NC(=S)NC(C)=O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.79
KMT2A Q03164 7/20 0.67
HTT P42858 1/20 0.66
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL19277770 0.87 MAPT (0.65) EPHX1KMT2AHTTALDH1A1MEN1
SCHEMBL29451289 0.84 SMN1; SMN2 (0.66) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL6579496 0.84 SMN1; SMN2 (0.66) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL28918511 0.83 SMN1; SMN2 (0.64) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL16119683 0.82 EPHX1 (0.81) EPHX1KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL1191054 0.80 ALDH1A1 (0.58) EPHX1KMT2AHTTALDH1A1MEN1
SCHEMBL862532 0.79 TSHR (0.70) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL11660382 0.79 HPGD (0.70) KMT2AHTTALDH1A1MEN1L3MBTL1
SCHEMBL5446889 0.79 GAA (0.81) EPHX1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9018859 0.78 KMT2A (0.60) KMT2AHTTALDH1A1MEN1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806282-B2 HAVE AN ANTAGONISTIC ACTIVITY WITH RESPECT TO CORTICOTROPIN RELEASING FACTOR SANOFI-SYNTHELABO (FR) 2004-10-19 US disclosed
EP-1242389-B1 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2004-04-21 EP disclosed
US-20030162771-A1 Novel branched substituted amino derivatives of 3-amino-1-phenyl-1h-[1,2,4] triazol, methods for producing them and pharmaceutical compositions containing them SANOFI (FR) 2003-08-28 US 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-20030162771-A1 Novel branched substituted amino derivatives of 3-amino-1-phenyl-1h-[1,2,4] triazol, methods for producing them and pharmaceutical compositions containing them CRHR1, ADRA2C, NPY1R EPHX1 3260/4885KMT2A 3493/4885HTT 4601/4885

“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.