SCHEMBL10154933

SCHEMBL10154933

COC(=O)c1cc(-c2ccccc2)c2ccn(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
EGFR P00533 1/20 0.47
NR4A2 P43354 2/20 0.46
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
PLEC Q15149 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL348052 0.87 PTGS1 (0.45) SCN9AKDM4EMEN1KMT2AMAPT
SCHEMBL146859 0.81 SCN9A (0.66) SCN9AEGFRNR4A2PTGS2TDP1
SCHEMBL13187075 0.79 KDM4E (0.49) NR4A2KDM4ETDP1MAPTTSHR
SCHEMBL21455665 0.78 BRD4 (0.45) SCN9A
SCHEMBL8442468 0.77 ASH1L (0.64) NR4A2KDM4EHPGDNEK1ASH1L
SCHEMBL17113154 0.77 USP2 (0.48) NR4A2KDM4ETDP1MAPTTSHR
SCHEMBL348258 0.77 KDM4E (0.48) NR4A2KDM4ETDP1TSHRALDH1A1
SCHEMBL29855962 0.77 KDM4E (0.48) NR4A2KDM4ETDP1TSHRALDH1A1
SCHEMBL13307570 0.77 KDM4E (0.48) NR4A2KDM4ETDP1MAPTTSHR
SCHEMBL13307561 0.75 KDM4E (0.39) NR4A2KDM4ETDP1MAPTALDH1A1

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-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 SCN9A 494/4885EGFR 3390/4885NR4A2 460/4885

“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.