SCHEMBL1708116

SCHEMBL1708116

O=C(Nc1cncc2nonc12)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TRPV1 Q8NER1 1/20 0.40
RAD51 Q06609 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL896641 0.84 KMT2A (0.48) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL1277271 0.72 TRPV1 (0.52) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL896819 0.70 MEN1 (0.57) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL896640 0.70 KMT2A (0.51) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL25278641 0.68 RAB9A (0.50) ALDH1A1GAAKDM4ECYP1A2MAPT
SCHEMBL360914 0.67 KMT2A (0.51) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL25234153 0.67 RAB9A (0.56) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL896721 0.67 GAA (0.49) ALDH1A1GAAKDM4EMAOBCYP1A2
SCHEMBL896517 0.67 FAAH (0.43) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL15880723 0.66 ALDH1A1 (0.58) ALDH1A1GAAKDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 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-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH ALDH1A1 895/4885GAA 634/4885KDM4E 650/4885

“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.