SCHEMBL16706685

SCHEMBL16706685

C=C(NCC(C)C)c1csc(CN(Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
BMP1 P13497 8/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL16706678 0.91 ALDH1A1 (0.49) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL18939745 0.90 RAB9A (0.48) BCHEALDH1A1BMP1POLBGAA
SCHEMBL16706788 0.89 BCHE (0.43) BCHEALDH1A1KMT2ABMP1POLB
SCHEMBL16706674 0.89 SMN1; SMN2 (0.49) ALDH1A1KMT2ABMP1POLBMAPT
SCHEMBL16706665 0.88 GPR55 (0.41) BCHEALDH1A1KMT2ABMP1POLB
SCHEMBL16706803 0.88 ALDH1A1 (0.44) ALDH1A1POLBMAPTSMN1; SMN2MMP1
SCHEMBL18931476 0.85 ALDH1A1 (0.45) ALDH1A1KMT2ABMP1POLBGAA
SCHEMBL16706782 0.85 MMP13 (0.41) ALDH1A1KMT2ABMP1POLBGAA
SCHEMBL16710126 0.84 BMP1 (0.47) BCHEALDH1A1BMP1POLBGAA
SCHEMBL16706775 0.84 ACHE (0.40) BCHEALDH1A1GAAMAPTSMN1; SMN2

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 BCHE 1734/4885ALDH1A1 1367/4885KMT2A 976/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 BCHE 2040/4885ALDH1A1 1191/4885KMT2A 904/4885

“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.