SCHEMBL16710047

SCHEMBL16710047

O=C(NCc1cccc(C(F)(F)F)c1)c1csc(CN(Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
MAPK1 P28482 4/20 0.47
PPARG P37231 1/20 0.47
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH2 P05091 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 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
SCHEMBL16710029 0.95 PPARG (0.51) HPGDMAPK1PPARGLMNATSHR
SCHEMBL16710032 0.95 PPARG (0.51) HPGDMAPK1PPARGLMNATSHR
SCHEMBL16706759 0.94 HPGD (0.46) HPGDMAPK1PPARGLMNATSHR
SCHEMBL16710124 0.92 PPARG (0.51) HPGDMAPK1PPARGLMNATSHR
SCHEMBL18427092 0.91 PPARG (0.47) HPGDMAPK1PPARGLMNATSHR
SCHEMBL16710125 0.91 HPGD (0.54) HPGDMAPK1LMNATSHRHTT
SCHEMBL16710031 0.90 SMN1; SMN2 (0.49) HPGDMAPK1PPARGLMNATSHR
SCHEMBL16710128 0.89 HPGD (0.53) HPGDMAPK1LMNATSHRHTT
SCHEMBL16710039 0.89 ALDH1A1 (0.51) HPGDMAPK1PPARGLMNATSHR
SCHEMBL16706754 0.89 MMP13 (0.55) HPGDMAPK1PPARGLMNATSHR

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 1087/4885PPARG 2922/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 HPGD 1740/4885MAPK1 1155/4885PPARG 3022/4885

“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.