SCHEMBL1763133

SCHEMBL1763133

CNCc1cc(-c2cccc(N)c2)n(S(=O)(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
CYP19A1 P11511 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
HTR6 P50406 9/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Hydrochloric Acid SCHEMBL1156405 0.99 PLAU (0.41) PLAUCYP19A1RAPGEF4HTR6ALDH1A1
SCHEMBL1763296 0.88 ALDH1A1 (0.51) CYP19A1RAPGEF4HTR6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1156314 0.87 ALDH1A1 (0.50) CYP19A1RAPGEF4HTR6ALDH1A1MAPT
SCHEMBL1580431 0.84 LMNA (0.43) CYP19A1RAPGEF4HTR6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1156502 0.83 LMNA (0.42) CYP19A1RAPGEF4HTR6ALDH1A1MAPT
SCHEMBL1580844 0.82 CYP11B1 (0.46) CYP19A1ALDH1A1KMT2A
SCHEMBL1580931 0.82 ALDH1A1 (0.45) RAPGEF4HTR6ALDH1A1MAPTMEN1
SCHEMBL1156820 0.82 EGFR (0.44) HTR6ALDH1A1MAPTKMT2A
SCHEMBL30427580 0.82 ALDH1A1 (0.43) CYP19A1RAPGEF4HTR6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1157160 0.82 CYP11B1 (0.45) CYP19A1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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 (2 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 PLAU 1110/4885CYP19A1 50/4885RAPGEF4 4027/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 PLAU 1110/4885CYP19A1 50/4885RAPGEF4 4027/4885

“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.