SCHEMBL896517

SCHEMBL896517

N#Cc1ccncc1NC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
RAD51 Q06609 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAOB P27338 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL8103369 0.83 GAA (0.58) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL896640 0.79 KMT2A (0.51) ROCK2ALDH1A1CYP1A2CYP19A1MAPT
SCHEMBL896819 0.79 MEN1 (0.57) ROCK2ALDH1A1CYP1A2CYP19A1MAPT
SCHEMBL29450047 0.77 NLRP3 (0.55) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL25234153 0.76 RAB9A (0.56) ROCK2ALDH1A1CYP1A2CYP19A1MAPT
SCHEMBL360914 0.76 KMT2A (0.51) ROCK2ALDH1A1CYP1A2CYP19A1MAPT
SCHEMBL896721 0.76 GAA (0.49) ROCK2ALDH1A1CYP1A2CYP19A1MAPT
SCHEMBL15890250 0.74 KMT2A (0.53) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL618043 0.73 TRPV1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1015519 0.73 MEN1 (0.47) ALDH1A1CYP1A2MAPTMEN1KMT2A

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-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
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH FAAH 1/4885ROCK2 4798/4885ALDH1A1 709/4885

“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.