SCHEMBL896790

SCHEMBL896790

O=C(Nc1cncc(F)c1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 4/20 0.51
RAD51 Q06609 1/20 0.50
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.45

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
SCHEMBL9383638 0.84 ALDH1A1 (0.54) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL3983142 0.83 ALDH1A1 (0.58) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL896275 0.82 KMT2A (0.58) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL32671986 0.82 CNR1 (0.57) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL31065612 0.82 CYP1A2 (0.57) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL897080 0.82 POLB (0.52) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL12515433 0.82 ALDH1A1 (0.51) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL12991338 0.82 ALDH1A1 (0.51) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL896497 0.82 ALDH1A1 (0.55) ALDH1A1MAPTRAD51CYP1A2KDM4E
SCHEMBL2480462 0.82 TAS2R14 (0.54) ALDH1A1MAPTRAD51CYP1A2KDM4E

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 4 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

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 1489/4885RAD51 2062/4885

“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.