SCHEMBL4876024

SCHEMBL4876024

O=Cc1cc(-c2ccccc2)ncc1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.47
NTRK1 P04629 1/20 0.40
KMO O15229 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
WNT3A P56704 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
CNR1 P21554 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 2/20 0.36

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
SCHEMBL14183149 0.82 BRD9 (0.50) LDHAADORA1
SCHEMBL3708385 0.75 KCNQ3 (0.33) GSK3AGSK3B
SCHEMBL29267451 0.73 LDHA (0.41) LDHAKMOBAZ2BADORA3GSK3A
SCHEMBL4876197 0.72 KDM4E (0.43) GSK3AGSK3BCNR1KDM4EMEN1
SCHEMBL17111814 0.71 NTRK1 (0.57) NTRK1CNR1MEN1ALDH1A1KMT2A
SCHEMBL9938191 0.70 PTGDR2 (0.33)
SCHEMBL6694722 0.70 LMNA (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL5102861 0.70 ALDH1A1 (0.44) ADORA1ADORA3MEN1ALDH1A1KMT2A
SCHEMBL3824156 0.68 KDM4C (0.42) KDM4E
SCHEMBL4870704 0.68 PTPN1 (0.67) LDHABAZ2BWNT3APTPN2PTPN1

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-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
WO-2006076597-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 LDHA 4160/4885NTRK1 256/4885KMO 1329/4885

“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.