SCHEMBL896116

SCHEMBL896116

O=C(Nc1cccnc1F)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
F2 P00734 1/20 0.46
F12 P00748 1/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
P2RY1 P47900 1/20 0.44
RAD51 Q06609 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL896310 0.82 SMN1; SMN2 (0.57) NPC1RAB9AALDH1A1CYP1A2KMT2A
SCHEMBL28147399 0.81 NPC1 (0.47) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL2398063 0.79 KDR (0.63) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL8699110 0.79 ALDH1A1 (0.50) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL10356846 0.79 RAB9A (0.81) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL15890236 0.79 NPC1 (0.50) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL3144214 0.78 MEN1 (0.61) RAB9AALDH1A1KDM4ECYP1A2KMT2A
SCHEMBL896911 0.77 GAA (0.60) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL11339458 0.76 KDR (0.63) NPC1RAB9ACYP1A2HPGDKMT2A
SCHEMBL393203 0.76 METAP1 (0.55) RAB9AKMT2AMEN1NAPRT

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 NPC1 1281/4885RAB9A 1530/4885NPSR1 331/4885

“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.