SCHEMBL3638667

SCHEMBL3638667

COc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.64
▸ TAAR1 Q96RJ0 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.62
▸ MEN1 O00255 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL4256963 0.86 MEN1 (0.64) MEN1KMT2A
SCHEMBL3645711 0.86 JAK2 (0.64) JAK2TAAR1RXFP1
SCHEMBL3645551 0.86 — —
SCHEMBL4253854 0.85 MAPT (0.66) JAK2TAAR1MAPTHPGD
SCHEMBL1986154 0.84 KMT2A (0.74) RXFP1MEN1MAPTHPGDKMT2A
SCHEMBL3638996 0.83 MAPT (0.76) JAK2MEN1MAPTHPGDKMT2A
SCHEMBL4254145 0.83 MEN1 (0.80) RXFP1MEN1MAPTHPGDKMT2A
SCHEMBL11693391 0.82 ALDH1A1 (0.66) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3642177 0.82 MAPT (0.64) JAK2MAPTHPGD
SCHEMBL3646234 0.82 MAPT (0.73) MEN1MAPTHPGDKMT2ASMN1; SMN2

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-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 JAK2 1211/4885TAAR1 97/4885RXFP1 170/4885

“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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