SCHEMBL9219136

SCHEMBL9219136

CCOC(=N)c1ccc(Cl)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.53
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRSS1 P07477 3/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL20116214 0.84 PRSS1 (0.54) DGAT1HSD17B2ALDH1A1MAPTPOLB
SCHEMBL21436709 0.83 DGAT1 (0.49) DGAT1HSD17B2ALDH1A1MAPTPOLB
SCHEMBL6578363 0.82 DGAT1 (0.59) DGAT1ALDH1A1MAPTMAPK1TSHR
Hydrochloric Acid SCHEMBL21436391 0.81 DGAT1 (0.48) DGAT1HSD17B2ALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL6578358 0.81 DGAT1 (0.57) DGAT1ALDH1A1MAPTMAPK1TSHR
SCHEMBL16068855 0.80 HSD17B2 (0.50) HSD17B2ALDH1A1MAPTPOLBCYP2C19
Hydrochloric Acid SCHEMBL2461112 0.79 HSD17B2 (0.45) DGAT1HSD17B2ALDH1A1POLBCYP2C19
SCHEMBL12944844 0.79 DGAT1 (0.44) DGAT1HSD17B2ALDH1A1POLBCYP2C19
SCHEMBL22950515 0.78 DGAT1 (0.54) DGAT1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL20116491 0.78 PDE4B (0.56) DGAT1HSD17B2MEN1KMT2ATSHR

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A DGAT1 1672/4885HSD17B2 796/4885ALDH1A1 1231/4885

“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.