SCHEMBL31660113

SCHEMBL31660113

Oc1cccc(-c2cnc(-c3cccc(Br)c3)[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
HRH1 P35367 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
SCN2A Q99250 4/20 0.51
NPY5R Q15761 5/20 0.47
HPGDS O60760 3/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
SMPD3 Q9NY59 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
RIPK1 Q13546 1/20 0.43

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
SCHEMBL26095410 1.00 CNR1 (0.54) CNR1CNR2HRH1HRH4SCN2A
SCHEMBL1179895 0.83 SCN2A (0.56) SCN2ANPY5RHPGDSSMPD3HSD17B1
SCHEMBL1181006 0.83 SCN2A (0.56) SCN2ANPY5RHPGDSCCNB2CDK1
SCHEMBL27832173 0.79 NPY5R (0.63) NPY5RHPGDSRIPK1
SCHEMBL31660384 0.79 NPY5R (0.68) CNR1CNR2HRH1HRH4SCN2A
SCHEMBL21980361 0.79 NPY5R (0.68) CNR1CNR2HRH1HRH4SCN2A
SCHEMBL19501567 0.76 MASP2 (0.62) CCNB2CDK1CCNB1CCNB3HSD17B1
SCHEMBL19443320 0.76 SCN2A (0.49) SCN2ANPY5RHPGDSCCNB2CDK1
SCHEMBL15425134 0.76 SNCA (0.61) CNR1CNR2HRH1HRH4SCN2A
SCHEMBL8207447 0.75 HSD17B1 (0.65) HSD17B1HSD17B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 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-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP CNR1 4327/4885CNR2 4645/4885HRH1 2691/4885

“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.