SCHEMBL14905945

SCHEMBL14905945

COC(=O)c1ccc(CCc2ccc(N)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.42
GFER P55789 1/20 0.41
CYP19A1 P11511 4/20 0.41
MAPT P10636 2/20 0.39
CYP4A11 Q02928 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL17996050 0.85 FAAH (0.49) MRGPRX4NPSR1LMNAPPARGNCOA2
SCHEMBL2412998 0.83 HPGD (0.50) MRGPRX4NPSR1LMNAPPARGNCOA2
Hydrochloric Acid SCHEMBL2410455 0.81 HPGD (0.49) MRGPRX4NPSR1LMNAPPARGNCOA2
SCHEMBL5557112 0.79 NPC1 (0.53) LMNAL3MBTL1NPC1RAB9AKDM4E
SCHEMBL5887893 0.78 HPGD (0.53) MRGPRX4NPSR1LMNAPPARGNCOA2
SCHEMBL1368290 0.78 NPSR1 (0.50) MRGPRX4NPSR1LMNAPPARGNCOA2
SCHEMBL2160994 0.77 HPGD (0.51) MRGPRX4NPSR1LMNAPPARGNCOA2
SCHEMBL7613895 0.76 LMNA (0.49) MRGPRX4NPSR1LMNAPPARGNCOA2
SCHEMBL7612745 0.76 LMNA (0.49) MRGPRX4NPSR1LMNAPPARGNCOA2
SCHEMBL1977403 0.76 NPSR1 (0.51) MRGPRX4NPSR1LMNAPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 EP disclosed
CN-103906741-B Aminoalkyl substituted N-thienylbenzamide derivatives ASTELLAS PHARMA INC. (JP) 2016-01-20 CN disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
CN-103906741-A Aminoalkyl substituted N-thienylbenzamide derivatives ASTELLAS PHARMA INC 2014-07-02 CN disclosed
WO-2013062065-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE アステラス製薬株式会社 (JP) 2013-05-02 WO 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-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI MRGPRX4 1603/4885NPSR1 514/4885LMNA 3161/4885

“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.