SCHEMBL16706692

SCHEMBL16706692

CC(NC(=O)c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 2/20 0.41
GPR139 Q6DWJ6 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 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
SCHEMBL16706827 0.90 MMP1 (0.40) ALDH1A1NPSR1SMN1; SMN2MMP1MMP2
SCHEMBL16710115 0.90 TAS1R3 (0.50) ALDH1A1NPSR1HPGDSMN1; SMN2MMP1
SCHEMBL16710053 0.89 KMT2A (0.45) ALDH1A1NPSR1KDM4EGAAHPGD
SCHEMBL16710026 0.88 NPC1 (0.45) ALDH1A1NPSR1KDM4EGAAHPGD
SCHEMBL16706687 0.88 MMP1 (0.45) ALDH1A1KDM4EPOLBHPGDMCHR1
SCHEMBL16710052 0.86 FAAH (0.44) ALDH1A1NPSR1KDM4EGAAHPGD
SCHEMBL16710085 0.86 MMP13 (0.54) ALDH1A1NPSR1SMN1; SMN2MMP1MMP2
SCHEMBL18938817 0.85 MCHR1 (0.46) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL16706717 0.85 FAAH (0.51) ALDH1A1NPSR1MMP1MMP2MMP9
SCHEMBL16710029 0.85 PPARG (0.51) ALDH1A1HPGDMMP13PPARGTSHR

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 8 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-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-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-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
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 ALDH1A1 1367/4885NPSR1 1075/4885KDM4E 1986/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ALDH1A1 1191/4885NPSR1 1103/4885KDM4E 2399/4885

“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.