SCHEMBL16710132

SCHEMBL16710132

O=C(c1csc(CN(Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)n1)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL16710106 0.91 MEN1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL18427128 0.90 TRPC3 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16706733 0.89 F2R (0.40) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL16710101 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16706807 0.86 TRPC3 (0.57) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL18941014 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16706758 0.85 MMP13 (0.57) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL18941003 0.85 POLB (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16710099 0.85 NR1H4 (0.45) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL18940550 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPC1RAB9A

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 ALDH1A1 1367/4885MEN1 3450/4885KMT2A 976/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ALDH1A1 1191/4885MEN1 3518/4885KMT2A 904/4885

“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.