SCHEMBL5563553

SCHEMBL5563553

COC(=O)c1cccc(-c2cccnn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 1/20 0.63
▸ GABRB3 P28472 1/20 0.63
▸ GABRA5 P31644 1/20 0.63
▸ GABRA3 P34903 1/20 0.63
▸ GRM5 P41594 2/20 0.52
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ABL1 P00519 1/20 0.48
▸ BCR P11274 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ ERN1 O75460 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ KDM6B O15054 1/20 0.48
▸ KDM5C P41229 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48
▸ KDM2A Q9Y2K7 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
SCHEMBL15997961 0.84 ALDH1A1 (0.49) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL27040012 0.84 ABL1 (0.52) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL27040114 0.84 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3GRM5
SCHEMBL27040273 0.81 ABL1 (0.60) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL5562975 0.81 GRM5 (0.64) GABRG2GABRB3GABRA5GABRA3GRM5
SCHEMBL67941 0.80 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL5563045 0.79 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3GRM5
SCHEMBL5563766 0.79 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3GRM5
SCHEMBL27715902 0.78 CA12 (0.71) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL4895475 0.78 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3GRM5

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 5 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
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 — — US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO 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 GABRG2 268/4885GABRB3 27/4885GABRA5 89/4885

“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.

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