SCHEMBL16710104

SCHEMBL16710104

O=C(c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
LMNA P02545 6/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1H4 Q96RI1 1/20 0.43
THRB P10828 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
SCD5 Q86SK9 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL16710140 0.96 MAPT (0.50) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706808 0.92 MAPT (0.43) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16710059 0.91 NR1H4 (0.43) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16710135 0.90 NPSR1 (0.49) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16710037 0.89 NR1H4 (0.46) MAPTLMNANR1H4TSHRHPGD
SCHEMBL16706732 0.88 NR1H4 (0.48) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL18938821 0.88 NR1H4 (0.55) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706820 0.88 NR1H4 (0.43) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706870 0.88 NR1H4 (0.48) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL18940547 0.88 TSHR (0.49) MAPTLMNAHTTMAPK1SMN1; SMN2

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 MAPT 1807/4885LMNA 280/4885HTT 4342/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 MAPT 1886/4885LMNA 214/4885HTT 4484/4885

“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.