SCHEMBL16710087

SCHEMBL16710087

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCc3ccccc3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 4/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ESR1 P03372 1/20 0.47
TSHR P16473 1/20 0.47
MMP1 P03956 2/20 0.47

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
SCHEMBL16710089 0.95 CYP1A2 (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710100 0.93 CYP1A2 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16706675 0.92 RAB9A (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16706696 0.91 MMP13 (0.58) SMN1; SMN2ALDH1A1HPGDMAPK1MEN1
SCHEMBL16706674 0.91 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16706698 0.89 MMP13 (0.58) SMN1; SMN2ALDH1A1HPGDMAPK1MEN1
SCHEMBL16710031 0.89 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16710128 0.89 HPGD (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18939745 0.88 RAB9A (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16706776 0.88 MMP13 (0.61) SMN1; SMN2ALDH1A1HPGDMAPK1MEN1

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 2862/4885CYP1A2 2116/4885CYP3A4 4245/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 SMN1; SMN2 3065/4885CYP1A2 2050/4885CYP3A4 4312/4885

“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.