SCHEMBL16395166

SCHEMBL16395166

O=C1CC(c2ccnnc2)=Nc2cc(O)c(Br)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.45
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL14744886 0.91 GRM2 (0.47) GRM2RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14745005 0.87 CYP3A4 (0.48) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL14744954 0.87 GRM2 (0.51) GRM2RAB9ASMN1; SMN2
SCHEMBL14745371 0.84 CYP3A4 (0.51) GRM2CYP3A4
SCHEMBL14744671 0.84 NPC1 (0.47) GRM2RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL14744793 0.83 GRM2 (0.52) GRM2RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14744648 0.83 GRM2 (0.64) GRM2RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL14744801 0.81 CYP3A4 (0.52) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL23954519 0.78 RAB9A (0.69) GRM2RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL14744633 0.78 GRM2 (0.66) GRM2RAB9ASMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 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-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 GRM2 3/4885RAB9A 564/4885SMN1; SMN2 1582/4885

“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.