SCHEMBL3035406

SCHEMBL3035406

CCOC(=O)c1[nH]c(C(=O)N(C)C)cc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.57
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 1/20 0.43
GAA P10253 3/20 0.41
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL11191069 0.85 CYP1A2 (0.55) L3MBTL1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL3023118 0.82 ALDH1A1 (0.54) L3MBTL1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL3035670 0.81 CYP1A2 (0.50) L3MBTL1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL257250 0.76 ALDH1A1 (0.62) L3MBTL1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL3035383 0.76 SMN1; SMN2 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL257492 0.76 RAB9A (0.52) CYP1A2CYP2C9CYP2C19TSHRHPGD
SCHEMBL11195270 0.76 HRH3 (0.52) L3MBTL1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL10268261 0.74 ALDH1A1 (0.48) L3MBTL1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL3038036 0.74 TSHR (0.45) L3MBTL1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL24392298 0.73 CYP1A2 (0.49) L3MBTL1CYP1A2CYP2C9CYP2C19TSHR

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 L3MBTL1 1657/4885CYP1A2 301/4885CYP2C9 720/4885

“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.