SCHEMBL18939712

SCHEMBL18939712

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cs2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 6/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 3/20 0.49
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
BMP1 P13497 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 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
SCHEMBL18938818 0.96 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTTDP1RXFP1
SCHEMBL18427165 0.92 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTTDP1RXFP1
SCHEMBL16706790 0.92 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTTDP1RXFP1
SCHEMBL18940130 0.91 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTTDP1RXFP1
SCHEMBL16710049 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTTDP1RXFP1
SCHEMBL18940991 0.90 ALDH1A1 (0.45) SMN1; SMN2LMNAHTTTDP1RXFP1
SCHEMBL16710137 0.90 MAPT (0.52) SMN1; SMN2LMNAHTTTDP1ALDH1A1
SCHEMBL16710040 0.89 BMP1 (0.48) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL16706794 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTTDP1RXFP1
SCHEMBL16706786 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTTDP1RXFP1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2862/4885LMNA 280/4885HTT 4342/4885

“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.