SCHEMBL6008374

SCHEMBL6008374

CC(=O)N(c1ccccn1)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 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
SCHEMBL11464551 0.85 KDM4E (0.46) HTTNPSR1LMNAALDH1A1TP53
SCHEMBL229105 0.84 HTT (0.53) HTTNPSR1LMNAALDH1A1TP53
SCHEMBL7978939 0.81 LMNA (0.49) HTTNPSR1LMNAALDH1A1TP53
SCHEMBL7985661 0.81 TSHR (0.43) HTTLMNAALDH1A1KMT2AMAPT
SCHEMBL22917037 0.80 LMNA (0.53) NPSR1LMNAALDH1A1KMT2AMAPT
SCHEMBL7978866 0.79 L3MBTL1 (0.41) HTTNPSR1LMNAALDH1A1TP53
SCHEMBL19512684 0.78 NPSR1 (0.47) HTTNPSR1LMNAALDH1A1TP53
SCHEMBL7980402 0.78 LMNA (0.41) HTTNPSR1LMNAALDH1A1TP53
SCHEMBL7982461 0.77 ALDH1A1 (0.48) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL22927278 0.77 CYP2D6 (0.37) HTTNPSR1LMNAALDH1A1TP53

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-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP 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-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR HTT 1898/4885NPSR1 64/4885LMNA 543/4885

“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.