SCHEMBL5557486

SCHEMBL5557486

O=C1CC(c2cccc(-c3cncnc3)c2)=Nc2ccc(Cl)cc2N1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.78
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.51
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL5558925 0.90 GRM2 (0.80) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5557631 0.87 GRM2 (1.00) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL6489928 0.87 GRM2 (0.68) GRM2CYP3A4
SCHEMBL5564545 0.84 GRM2 (0.63) GRM2CYP3A4
SCHEMBL6487362 0.83 GRM2 (0.72) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5562832 0.83 GRM2 (0.76) GRM2RAB9ASMN1; SMN2
SCHEMBL5557734 0.83 GRM2 (0.69) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL6484843 0.83 GRM2 (0.75) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5557133 0.81 GRM2 (0.79) GRM2RAB9ASMN1; SMN2CYP3A4
SCHEMBL5868976 0.81 GRM2 (0.73) GRM2RAB9ASMN1; SMN2NPC1ALDH1A1

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
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 GRM2 140/4885RAB9A 2759/4885SMN1; SMN2 538/4885

“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.