SCHEMBL16710049

SCHEMBL16710049

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
BMP1 P13497 3/20 0.44
MMP1 P03956 2/20 0.44
MMP8 P22894 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
SCD5 Q86SK9 1/20 0.40

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 0.93 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1RXFP1ALDH1A1
SCHEMBL16706700 0.93 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1BMP1MMP1
SCHEMBL16706794 0.92 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1BMP1RXFP1
SCHEMBL16706786 0.92 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1BMP1MMP1
SCHEMBL16710137 0.91 MAPT (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1HTT
SCHEMBL18939712 0.90 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1BMP1RXFP1
SCHEMBL18940991 0.89 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1BMP1RXFP1
SCHEMBL16706662 0.89 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1TP53
SCHEMBL16710119 0.89 SCD5 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1HTT
SCHEMBL16710040 0.89 BMP1 (0.48) SMN1; SMN2KMT2AMEN1BMP1ALDH1A1

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 2862/4885KMT2A 976/4885MEN1 3450/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 SMN1; SMN2 3065/4885KMT2A 904/4885MEN1 3518/4885

“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.