SCHEMBL16706672

SCHEMBL16706672

Cc1ccc(CN(Cc2ccc(C(C)(C)C)cc2)Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
GALR3 O60755 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTK2B Q14289 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FAAH O00519 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL16710084 0.96 HPGD (0.49) TDP1GALR3RAB9AHPGDMAPK1
SCHEMBL16710024 0.93 TDP1 (0.57) TDP1NPSR1HPGDMAPK1HSD17B10
SCHEMBL18940504 0.93 HPGD (0.46) TDP1GALR3RAB9AHPGDMAPK1
SCHEMBL16710124 0.87 PPARG (0.51) TDP1NPSR1HPGDMAPK1HSD17B10
SCHEMBL16706778 0.87 TDP1 (0.50) TDP1NPSR1HPGDMAPK1HSD17B10
SCHEMBL16710131 0.87 TDP1 (0.50) TDP1NPSR1RAB9AHPGDMAPK1
SCHEMBL18940507 0.86 KMT2A (0.49) RAB9AHPGDMAPK1HSD17B10KDM4E
SCHEMBL16706702 0.85 RAB9A (0.41) TDP1GALR3RAB9AHPGDMAPK1
SCHEMBL16710043 0.85 ALDH1A1 (0.45) NPSR1RAB9AHPGDMAPK1KDM4E
SCHEMBL16710082 0.85 HTR2A (0.51) HPGDLMNATP53ALDH1A1PKM

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 TDP1 575/4885NPSR1 1075/4885GALR3 1628/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 TDP1 593/4885NPSR1 1103/4885GALR3 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.