SCHEMBL16706702

SCHEMBL16706702

C=C(NCc1ccc2c(c1)OCO2)c1csc(CN(Cc2ccc(C(C)(C)C)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 1/20 0.41
DOT1L Q8TEK3 1/20 0.40
KMT2A Q03164 2/20 0.40
GALR3 O60755 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
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
MEN1 O00255 1/20 0.38

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
SCHEMBL16706744 0.90 ALDH1A1 (0.44) RAB9AGAAHPGDMAPK1KMT2A
SCHEMBL16706704 0.90 TDP1 (0.47) HPGDMAPK1KMT2AL3MBTL1LMNA
SCHEMBL16710084 0.90 HPGD (0.49) RAB9AHPGDMAPK1DOT1LKMT2A
SCHEMBL16706767 0.88 MAPK1 (0.46) GAAHPGDMAPK1KMT2AL3MBTL1
SCHEMBL16706678 0.88 ALDH1A1 (0.49) GAARECQLHPGDKMT2AKDM4E
SCHEMBL16706769 0.85 PPARG (0.43) RAB9AHPGDMAPK1KMT2AL3MBTL1
SCHEMBL16706720 0.85 PPARG (0.43) RAB9AHPGDMAPK1KMT2AL3MBTL1
SCHEMBL16706672 0.85 TDP1 (0.54) RAB9AHPGDMAPK1KMT2AGALR3
SCHEMBL18940504 0.85 HPGD (0.46) RAB9ARECQLHPGDMAPK1DOT1L
SCHEMBL16706697 0.85 PPARG (0.44) HPGDMAPK1LMNATDP1ALDH1A1

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 RAB9A 1672/4885GAA 1759/4885RECQL 970/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 RAB9A 1933/4885GAA 1800/4885RECQL 888/4885

“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.