SCHEMBL18940550

SCHEMBL18940550

COc1ccccc1N1CCN(C(=O)c2csc(CN(Cc3ccc(Cl)cc3)Cc3ccc4c(c3)OCO4)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 4/20 0.52
TACR3 P29371 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ADRA1D P25100 1/20 0.46

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
SCHEMBL16706779 0.93 MAPT (0.55) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL18940549 0.93 ADRA1D (0.47) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16710101 0.91 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL18931483 0.91 MAPT (0.53) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16710137 0.89 MAPT (0.52) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16706802 0.88 MAPT (0.51) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL18427096 0.87 LMNA (0.42) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL18940991 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16706763 0.86 ADRA1D (0.48) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16706797 0.85 MAPT (0.47) ALDH1A1MAPTLMNANPSR1KMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1367/4885MAPT 1807/4885LMNA 280/4885

“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.