SCHEMBL896877

SCHEMBL896877

O=C(Nc1ccc(-n2nccn2)cc1)Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 5/20 0.59
KMT2A Q03164 5/20 0.59
GAA P10253 4/20 0.59
KDM4E B2RXH2 3/20 0.59
USP2 O75604 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
RAD51 Q06609 1/20 0.57
MEN1 O00255 3/20 0.55
THRB P10828 2/20 0.55
GFER P55789 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.51
PORCN Q9H237 1/20 0.48
FAAH O00519 6/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8063648 0.82 ALDH1A1 (0.82) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL896526 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL8539679 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AGAAKDM4E
Phenyl Phenylcarbamate SCHEMBL272994 0.79 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL7684998 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL589501 0.78 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL20013063 0.78 MAPT (0.86) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL4330122 0.77 KMT2A (0.47) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL21295428 0.76 SMN1; SMN2 (0.74) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL30407133 0.76 ALDH1A1 (0.72) ALDH1A1MAPTKMT2AGAAKDM4E

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 709/4885MAPT 1489/4885KMT2A 656/4885

“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.