SCHEMBL16710053

SCHEMBL16710053

CCC(C)NC(=O)c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL16710115 0.91 TAS1R3 (0.50) ALDH1A1HPGDUBE2MDCUN1D1NPSR1
SCHEMBL16706772 0.91 ACHE (0.39) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL16706692 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL16710026 0.89 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4ES1PR2
SCHEMBL18427141 0.88 NR1H4 (0.43) ALDH1A1UBE2MDCUN1D1NPSR1PPARG
SCHEMBL16710030 0.88 FAAH (0.46) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL18931474 0.87 MMP13 (0.49) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL16706699 0.87 KMT2A (0.51) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL16710052 0.87 FAAH (0.44) ALDH1A1KDM4ES1PR2LMNAGAA
SCHEMBL16710085 0.87 MMP13 (0.54) ALDH1A1UBE2MDCUN1D1NPSR1PPARG

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 KMT2A 976/4885NPC1 1181/4885RAB9A 1672/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 KMT2A 904/4885NPC1 1465/4885RAB9A 1933/4885

“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.