SCHEMBL16710084

SCHEMBL16710084

CC(C)(C)c1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
GALR3 O60755 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
FAAH O00519 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL16706672 0.96 TDP1 (0.54) HPGDMAPK1GALR3RAB9ATDP1
SCHEMBL18940504 0.95 HPGD (0.46) HPGDMAPK1GALR3RAB9ATDP1
SCHEMBL18940507 0.90 KMT2A (0.49) HPGDMAPK1RAB9AHSD17B10MEN1
SCHEMBL16710024 0.90 TDP1 (0.57) HPGDMAPK1TDP1HSD17B10MEN1
SCHEMBL16706702 0.90 RAB9A (0.41) HPGDMAPK1GALR3RAB9ATDP1
SCHEMBL16710043 0.89 ALDH1A1 (0.45) HPGDMAPK1RAB9AALDH1A1DOT1L
SCHEMBL16710125 0.88 HPGD (0.54) HPGDMAPK1HSD17B10MEN1KMT2A
SCHEMBL16706666 0.88 TSHR (0.45) TDP1ALDH1A1DOT1LTSHR
SCHEMBL16710123 0.88 MMP13 (0.55) ALDH1A1TSHR
SCHEMBL16706729 0.88 HDAC1 (0.41) TDP1ALDH1A1DOT1LFAAHTSHR

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 HPGD 1757/4885MAPK1 1087/4885GALR3 1628/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 HPGD 1740/4885MAPK1 1155/4885GALR3 1675/4885

“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.