SCHEMBL10236271

SCHEMBL10236271

CC(C)(C)c1ccc(-c2cc3ncccc3o2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GRM4 Q14833 2/20 0.39
TRPV1 Q8NER1 3/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
CYP11B1 P15538 1/20 0.34
METAP2 P50579 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KIF11 P52732 1/20 0.33
NPC1 O15118 2/20 0.32

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
SCHEMBL10236232 0.81 KDM4E (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4139506 0.78 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10279219 0.78 CYP11B1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24776300 0.76 KDM4E (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28428414 0.75 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10236274 0.72 NPC1 (0.47) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL30528410 0.72 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12150275 0.71 CHRNB2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10236275 0.70 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7848655 0.70 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 CHRM2 4757/4885CHRM4 4244/4885CHRM5 4677/4885

“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.