SCHEMBL16710048

SCHEMBL16710048

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)cs2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PPARG P37231 1/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 4/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16710031 0.93 SMN1; SMN2 (0.49) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL16706760 0.92 KMT2A (0.41) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL16710032 0.89 PPARG (0.51) HPGDMAPTALDH1A1PPARGKMT2A
SCHEMBL16710029 0.89 PPARG (0.51) HPGDMAPTALDH1A1PPARGKMT2A
SCHEMBL16710124 0.87 PPARG (0.51) HPGDALDH1A1PPARGKMT2AKDM4E
SCHEMBL16706754 0.86 MMP13 (0.55) NPC1RAB9AHPGDALDH1A1PPARG
SCHEMBL16710047 0.85 HPGD (0.47) HPGDMAPTALDH1A1PPARGKMT2A
SCHEMBL18427092 0.85 PPARG (0.47) RAB9AHPGDALDH1A1PPARGKMT2A
SCHEMBL16706731 0.85 ALDH1A1 (0.42) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL16710139 0.84 NPC1 (0.45) NPC1RAB9APPARGSMN1; SMN2POLB

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-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1181/4885RAB9A 1672/4885HPGD 1757/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NPC1 1465/4885RAB9A 1933/4885HPGD 1740/4885

“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.