SCHEMBL896549

SCHEMBL896549

CCn1nccc1NC(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
MIF P14174 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSK P43235 1/20 0.43
FAAH O00519 6/20 0.43
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3766193 0.79 RAB9A (0.48) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL5334461 0.78 RAB9A (0.47) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL17644761 0.78 CTSK (0.40) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL13678562 0.77 CYP2C9 (0.48) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL1982137 0.77 TAAR1 (0.50) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL9706938 0.77 TAAR1 (0.50) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL14257308 0.77 L3MBTL1 (0.35) ALDH1A1KMT2AL3MBTL1CTSKKDM4E
SCHEMBL13170046 0.76 MEN1 (0.46) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL1012925 0.76 MAPK14 (0.48) RAB9AHPGDGAA
SCHEMBL25439460 0.75 FAAH (0.50) RAB9AALDH1A1MAPTMEN1KMT2A

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 RAB9A 1530/4885ALDH1A1 709/4885MAPT 1489/4885

“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.