SCHEMBL5116737

SCHEMBL5116737

O=C(O)N(CO)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.50
BAZ2B Q9UIF8 1/20 0.44
HPGDS O60760 1/20 0.43
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
WNT3A P56704 5/20 0.41
FFAR1 O14842 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL6027482 0.86 LDHA (0.49) LDHABAZ2BHPGDSCYP11B1CYP11B2
SCHEMBL5106786 0.86 LDHA (0.49) LDHABAZ2BHPGDSCYP11B1CYP11B2
SCHEMBL5106595 0.78 LDHA (0.53) LDHABAZ2BHPGDSCYP11B1CYP11B2
SCHEMBL5102869 0.75 LDHA (0.50) LDHABAZ2BHPGDSCYP11B1CYP11B2
SCHEMBL4732176 0.73 ALDH1A1 (0.54) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL13327616 0.71 RAB9A (0.48) LDHABAZ2BHPGDSCYP11B1CYP11B2
SCHEMBL18552087 0.71 LDHA (0.47) LDHABAZ2BHPGDSCYP11B1CYP11B2
SCHEMBL15421297 0.71 CYP11B1 (0.50) LDHABAZ2BHPGDSCYP11B1CYP11B2
SCHEMBL18573165 0.70 OXTR (0.56) LDHABAZ2BHPGDSPTPN2PTPN1
SCHEMBL21480942 0.68 FASN (0.47) LDHABAZ2BHPGDSFFAR1

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-7314882-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
WO-2006076598-A2 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154955-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-20060154955-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 LDHA 4493/4885BAZ2B 2243/4885HPGDS 1450/4885

“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.