SCHEMBL16710099

SCHEMBL16710099

O=C(c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
UBE2M P61081 5/20 0.42
DCUN1D1 Q96GG9 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL16710037 0.99 NR1H4 (0.46) NR1H4UBE2MDCUN1D1MEN1KMT2A
SCHEMBL18938821 0.92 NR1H4 (0.55) NR1H4UBE2MDCUN1D1LMNATSHR
SCHEMBL18938820 0.91 LMNA (0.51) NR1H4UBE2MDCUN1D1MEN1KMT2A
SCHEMBL16706732 0.91 NR1H4 (0.48) NR1H4UBE2MDCUN1D1LMNATSHR
SCHEMBL16706787 0.91 TRPC3 (0.51) NR1H4UBE2MDCUN1D1NPC1RAB9A
SCHEMBL16710140 0.91 MAPT (0.50) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL16706864 0.90 UBE2M (0.39) NR1H4UBE2MDCUN1D1MEN1KMT2A
SCHEMBL16706774 0.89 UBE2M (0.40) NR1H4UBE2MDCUN1D1MEN1KMT2A
SCHEMBL16710057 0.89 NR1H4 (0.44) NR1H4UBE2MDCUN1D1NPC1RAB9A
SCHEMBL16706868 0.89 NR1H4 (0.51) NR1H4UBE2MDCUN1D1MEN1KMT2A

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 NR1H4 362/4885UBE2M 2196/4885DCUN1D1 3597/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 NR1H4 334/4885UBE2M 2314/4885DCUN1D1 3592/4885

“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.