SCHEMBL16706675

SCHEMBL16706675

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCCc3ccccc3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 5/20 0.49
FAAH O00519 4/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.48
BMP1 P13497 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 1/20 0.46
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL16710087 0.92 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2MAPTLMNANPC1
SCHEMBL16706694 0.91 MMP13 (0.57) RAB9AMAPTFAAHLMNANPC1
SCHEMBL16706680 0.91 FAAH (0.54) RAB9ASMN1; SMN2MAPTFAAHLMNA
SCHEMBL16710105 0.91 RAB9A (0.51) RAB9ASMN1; SMN2MAPTFAAHLMNA
SCHEMBL16706766 0.90 RAB9A (0.52) RAB9ASMN1; SMN2MAPTFAAHLMNA
SCHEMBL16706725 0.89 RAB9A (0.49) RAB9ASMN1; SMN2MAPTFAAHNPC1
SCHEMBL16710127 0.89 RAB9A (0.48) RAB9ASMN1; SMN2MAPTLMNANPC1
SCHEMBL16710089 0.88 CYP1A2 (0.56) RAB9ASMN1; SMN2MAPTLMNANPC1
SCHEMBL16710126 0.88 BMP1 (0.47) RAB9ASMN1; SMN2MAPTBMP1CYP1A2
SCHEMBL16710046 0.88 RAB9A (0.47) RAB9ASMN1; SMN2MAPTLMNANPC1

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 6 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-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-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 1672/4885SMN1; SMN2 2862/4885MAPT 1807/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 RAB9A 1933/4885SMN1; SMN2 3065/4885MAPT 1886/4885

“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.