SCHEMBL16710137

SCHEMBL16710137

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)N3CCN(c4ccccc4OC)CC3)cs2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 1/20 0.43

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
SCHEMBL16706797 0.95 MAPT (0.47) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL18940991 0.94 ALDH1A1 (0.45) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL16710119 0.94 SCD5 (0.46) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL18931482 0.93 MAPT (0.44) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL16706785 0.92 ADRA1D (0.44) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL16706794 0.91 SMN1; SMN2 (0.47) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL16710049 0.91 SMN1; SMN2 (0.49) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16706779 0.90 MAPT (0.55) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL18939712 0.90 SMN1; SMN2 (0.55) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL18938818 0.89 SMN1; SMN2 (0.60) LMNAALDH1A1SMN1; SMN2KMT2AMEN1

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 MAPT 1807/4885LMNA 280/4885ALDH1A1 1367/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 MAPT 1886/4885LMNA 214/4885ALDH1A1 1191/4885

“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.