SCHEMBL1763296

SCHEMBL1763296

CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HTR6 P50406 6/20 0.47
MAPT P10636 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.41
HSD11B1 P28845 1/20 0.41
ELAVL1 Q15717 1/20 0.41
HTT P42858 1/20 0.41

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 SCHEMBL1156314 0.99 ALDH1A1 (0.50) ALDH1A1HTR6MAPTRAPGEF4LMNA
SCHEMBL1580931 0.93 ALDH1A1 (0.45) ALDH1A1HTR6MAPTRAPGEF4LMNA
Hydrochloric Acid SCHEMBL1156844 0.92 ALDH1A1 (0.44) ALDH1A1HTR6MAPTRAPGEF4LMNA
SCHEMBL1580431 0.89 LMNA (0.43) ALDH1A1HTR6MAPTRAPGEF4LMNA
SCHEMBL1580766 0.89 HTR6 (0.43) ALDH1A1HTR6MAPTL3MBTL1ELAVL1
SCHEMBL1581101 0.89 HTR6 (0.45) HTR6MAPTPKMPOLBL3MBTL1
SCHEMBL1156820 0.89 EGFR (0.44) ALDH1A1HTR6MAPTKMT2A
Hydrochloric Acid SCHEMBL1156502 0.88 LMNA (0.42) ALDH1A1HTR6MAPTRAPGEF4LMNA
SCHEMBL1763133 0.88 PLAU (0.42) ALDH1A1HTR6MAPTRAPGEF4MEN1
Hydrochloric Acid SCHEMBL1156349 0.88 HTR6 (0.42) ALDH1A1HTR6MAPTL3MBTL1ELAVL1

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 ALDH1A1 1146/4885HTR6 1727/4885MAPT 539/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 ALDH1A1 1146/4885HTR6 1727/4885MAPT 539/4885

“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.