SCHEMBL7721723

SCHEMBL7721723

C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
AAK1 Q2M2I8 8/20 0.48
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
GAA P10253 1/20 0.39
CTSB P07858 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL3133136 1.00 TP53 (0.50) TP53AAK1ALDH1A1L3MBTL1MEN1
SCHEMBL7718349 1.00 TP53 (0.50) TP53AAK1ALDH1A1L3MBTL1MEN1
SCHEMBL30752785 0.88 MAPT (0.41) TP53AAK1ALDH1A1L3MBTL1MEN1
SCHEMBL5583501 0.85 TP53 (0.56) TP53ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29042821 0.84 AAK1 (0.49) TP53AAK1CTSSCTSKCTSB
SCHEMBL29042833 0.84 AAK1 (0.49) TP53AAK1ALDH1A1L3MBTL1MAPT
SCHEMBL30374901 0.84 AAK1 (0.49) TP53AAK1ALDH1A1L3MBTL1MAPT
SCHEMBL19585926 0.83 AAK1 (0.52) AAK1ALDH1A1CTSSCTSKGAA
SCHEMBL19585925 0.83 AAK1 (0.52) AAK1ALDH1A1CTSSCTSKGAA
SCHEMBL8272439 0.83 LMNA (0.54) TP53AAK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 US disclosed
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 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 (3 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-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 TP53 4589/4885AAK1 2208/4885ALDH1A1 779/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 TP53 4883/4885AAK1 1841/4885ALDH1A1 141/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 TP53 4527/4885AAK1 2872/4885ALDH1A1 470/4885

“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.