SCHEMBL16706674

SCHEMBL16706674

C=C(NCc1ccccc1)c1csc(CN(Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.44
MMP2 P08253 3/20 0.44
MMP13 P45452 3/20 0.44
MMP1 P03956 2/20 0.44
MMP9 P14780 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.42
BMP1 P13497 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.41

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 0.96 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL16706803 0.94 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MMP2MMP13MMP1
SCHEMBL16710087 0.91 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1TSHRMMP2MMP13
SCHEMBL16706731 0.90 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRMMP2MMP13
SCHEMBL16706685 0.89 BCHE (0.43) SMN1; SMN2ALDH1A1MMP2MMP13MMP1
SCHEMBL16706727 0.89 MMP1 (0.45) ALDH1A1TSHRMMP2MMP13MMP1
SCHEMBL16706665 0.87 GPR55 (0.41) SMN1; SMN2ALDH1A1TSHRMMP2MMP13
SCHEMBL16706704 0.86 TDP1 (0.47) SMN1; SMN2ALDH1A1POLBHPGDKMT2A
SCHEMBL16706782 0.85 MMP13 (0.41) SMN1; SMN2ALDH1A1TSHRMMP2MMP13
SCHEMBL16710089 0.85 CYP1A2 (0.56) SMN1; SMN2ALDH1A1CYP1A2POLBCYP3A4

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 2862/4885ALDH1A1 1367/4885TSHR 2005/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 SMN1; SMN2 3065/4885ALDH1A1 1191/4885TSHR 2085/4885

“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.