SCHEMBL897079

SCHEMBL897079

COc1nccc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GAA P10253 3/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
MAPT P10636 2/20 0.46
MAPK8 P45983 2/20 0.45
POLB P06746 1/20 0.44
PORCN Q9H237 1/20 0.43
F2 P00734 1/20 0.43
F12 P00748 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL821809 0.81 F2 (0.52) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL15890199 0.80 F2 (0.45) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL8673149 0.80 ALDH1A1 (0.54) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL15890196 0.80 NPC1 (0.59) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL9620601 0.78 ALDH1A1 (0.49) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL30421381 0.77 CYP1A2 (0.49) ALDH1A1HTTSMN1; SMN2MAPK8KDM4E
SCHEMBL59779 0.77 ALDH1A1 (0.51) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL896694 0.77 MALT1 (0.43) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL15890256 0.75 ALDH1A1 (0.60) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL9754368 0.75 F2 (0.49) ALDH1A1GAAHTTSMN1; SMN2MEN1

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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH ALDH1A1 709/4885GAA 801/4885HTT 303/4885

“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.