SCHEMBL1492894

SCHEMBL1492894

CC(C(=O)O)c1ccc2cnccc2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.58
AKR1C2 P52895 14/20 0.58
PTGS2 P35354 3/20 0.58
PTGS1 P23219 2/20 0.58
CDC42 P60953 1/20 0.58
RAC1 P63000 1/20 0.58
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
AKR1B1 P15121 1/20 0.49
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
IMPDH2 P12268 2/20 0.46

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
SCHEMBL31370526 1.00 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL30564493 0.94 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL21877367 0.86 ROCK2 (0.46) ROCK2ROCK1IMPDH2
Hydrochloric Acid SCHEMBL111598 0.84 ROCK2 (0.45) ROCK2ROCK1IMPDH2
SCHEMBL1492665 0.80 APP (0.45) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL3128980 0.80 UGT2B7 (0.58) ROCK2ROCK1IMPDH2
SCHEMBL30087223 0.79 PRKCZ (0.46) ROCK2ROCK1IMPDH2
SCHEMBL1266869 0.79 PRKCZ (0.46) ROCK2ROCK1IMPDH2
SCHEMBL11470486 0.79 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL10025981 0.78 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 AKR1C3 3976/4885AKR1C2 3935/4885PTGS2 2052/4885

“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.