Sugi Predict

Sugi Predict / Compounds / SCHEMBL3139904

SCHEMBL3139904

SCHEMBL3139904

CCc1nc(C(=O)O)c2n1-c1ccc(C#CC(C)(C)C)cc1C(c1ccccc1)=NC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 10/20 0.47
▸ GABRA5 P31644 10/20 0.47
▸ GABRA2 P47869 9/20 0.47
▸ GABRG2 P18507 9/20 0.47
▸ GABRB3 P28472 9/20 0.47
▸ GABRA3 P34903 9/20 0.47
▸ GABRA6 Q16445 2/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ HDAC1 Q13547 4/20 0.42
▸ GABRB2 P47870 4/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL3417352 0.78 GABRA3 (0.53) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL2840548 0.78 GABRA1 (0.56) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL18096788 0.77 GABRA3 (0.61) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL3139898 0.77 GABRG2 (0.79) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL7721824 0.77 GABRA1 (0.62) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL3417353 0.77 GABRA3 (0.67) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL3142799 0.75 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL7310152 0.71 OPRK1 (0.60) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11035825 0.71 GABRA5 (0.41) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL3415181 0.71 GABRA3 (0.56) GABRA1GABRA5GABRA2GABRG2GABRB3

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
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-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-05 — — 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 (2 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-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects GABRE, GABRA6, GABRA5 GABRA1 4/4885GABRA5 3/4885GABRA2 9/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 GABRA1 7/4885GABRA5 4/4885GABRA2 14/4885

“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.