SCHEMBL16710127

SCHEMBL16710127

CCCCNC(=O)c1csc(CN(Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
BMP1 P13497 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL16710046 0.98 RAB9A (0.47) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16710045 0.97 RAB9A (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16710113 0.92 RAB9A (0.44) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16706810 0.90 KMT2A (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16710110 0.90 NPC1 (0.49) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16710089 0.90 CYP1A2 (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16710126 0.89 BMP1 (0.47) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16706739 0.89 KMT2A (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16706718 0.89 MMP13 (0.55) RAB9ANPC1
SCHEMBL16706675 0.89 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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 RAB9A 1672/4885NPC1 1181/4885CYP1A2 2116/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 RAB9A 1933/4885NPC1 1465/4885CYP1A2 2050/4885

“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.