SCHEMBL16706757

SCHEMBL16706757

C=C(NC(C)C(C)C)c1csc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
BCHE P06276 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 5/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL16706788 0.92 BCHE (0.43) SMN1; SMN2TP53BCHEMAPTKMT2A
SCHEMBL16710112 0.91 MAPT (0.43) SMN1; SMN2TP53BCHEMAPTKDM4E
SCHEMBL16706755 0.90 SMN1; SMN2 (0.43) SMN1; SMN2TP53MAPTKDM4EKMT2A
SCHEMBL16706673 0.90 KDM4E (0.45) SMN1; SMN2TP53BCHEMAPTKDM4E
SCHEMBL16706819 0.85 KMT2A (0.40) SMN1; SMN2TP53MAPTKDM4EKMT2A
SCHEMBL16706756 0.84 KMT2A (0.44) SMN1; SMN2TP53BCHEMAPTKDM4E
SCHEMBL16710120 0.84 MMP13 (0.47) SMN1; SMN2TP53MAPTKDM4EKMT2A
SCHEMBL16706662 0.84 SMN1; SMN2 (0.45) SMN1; SMN2TP53BCHEMAPTKDM4E
SCHEMBL16710028 0.83 KDM4E (0.46) SMN1; SMN2TP53MAPTKDM4EKMT2A
SCHEMBL16710129 0.83 BCHE (0.45) SMN1; SMN2BCHEMAPTKDM4EKMT2A

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 SMN1; SMN2 2862/4885TP53 4770/4885BCHE 1734/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 SMN1; SMN2 3065/4885TP53 4732/4885BCHE 2040/4885

“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.