SCHEMBL16710050

SCHEMBL16710050

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.46
DCUN1D1 Q96GG9 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FAAH O00519 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PPARG P37231 1/20 0.43
FLT1 P17948 2/20 0.42
KDR P35968 1/20 0.40
LMNA P02545 2/20 0.40
CASP6 P55212 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL16710118 0.98 UBE2M (0.45) UBE2MDCUN1D1NPC1RAB9AFAAH
SCHEMBL16710030 0.95 FAAH (0.46) UBE2MDCUN1D1NPC1RAB9AFAAH
SCHEMBL16710035 0.91 FAAH (0.45) UBE2MDCUN1D1FAAHALDH1A1NPSR1
SCHEMBL16710139 0.91 NPC1 (0.45) UBE2MDCUN1D1NPC1RAB9AFAAH
SCHEMBL16710052 0.90 FAAH (0.44) UBE2MDCUN1D1FAAHALDH1A1NPSR1
SCHEMBL16706717 0.90 FAAH (0.51) UBE2MDCUN1D1NPC1RAB9AFAAH
SCHEMBL16710029 0.90 PPARG (0.51) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL16710032 0.90 PPARG (0.51) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL16710026 0.89 NPC1 (0.45) UBE2MDCUN1D1NPC1RAB9AFAAH
SCHEMBL18427141 0.88 NR1H4 (0.43) UBE2MDCUN1D1FAAHALDH1A1NPSR1

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 UBE2M 2196/4885DCUN1D1 3597/4885NPC1 1181/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 UBE2M 2314/4885DCUN1D1 3592/4885NPC1 1465/4885

“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.