SCHEMBL456000

SCHEMBL456000

CC(C)(C)OC(=O)c1cnc(NNC(=O)c2ccccc2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 6/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PSMD14 O00487 1/20 0.41
MAPK1 P28482 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PTGS2 P35354 3/20 0.40
P2RY12 Q9H244 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL476556 0.82 MAPT (0.48) MEN1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL456041 0.79 STAT3 (0.41) MAPTSMN1; SMN2GAAPOLBKDM4E
Hydrochloric Acid SCHEMBL453821 0.77 STAT3 (0.40) MAPTSMN1; SMN2GAAPOLBKDM4E
SCHEMBL454098 0.72 ALDH1A1 (0.48) MEN1MAPTKMT2AGAAPOLB
SCHEMBL5374468 0.71 STAT3 (0.38) GAAMAPK1ALDH1A1TDP1NTRK1
SCHEMBL1424795 0.71 TDP1 (0.41) MAPK1ALDH1A1TDP1NTRK1NTRK2
SCHEMBL21094068 0.70 TDP1 (0.39) MAPK1ALDH1A1TDP1NTRK1NTRK2
SCHEMBL530104 0.69 GAA (0.52) SMN1; SMN2GAAPOLBNPC1RAB9A
SCHEMBL19759804 0.69 ALDH1A1 (0.39) MAPTMAPK1ALDH1A1TDP1NTRK1
SCHEMBL3636023 0.69 MAPT (0.56) MEN1MAPTKMT2ASMN1; SMN2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 MEN1 4860/4885MAPT 4011/4885KMT2A 4191/4885

“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.