SCHEMBL7723213

SCHEMBL7723213

O=C1CN=C(c2cccs2)c2cc(Br)ccc2N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.74
GABRA5 P31644 7/20 0.74
GABRA3 P34903 7/20 0.74
GABRA2 P47869 7/20 0.74
GABRG2 P18507 5/20 0.74
GABRB3 P28472 5/20 0.74
KMT2A Q03164 3/20 0.64
GABRB2 P47870 5/20 0.61
ADRA1A P35348 1/20 0.60
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 2/20 0.54
GAA P10253 1/20 0.54
CHRM1 P11229 1/20 0.49
PDE4D Q08499 2/20 0.46
CNR1 P21554 1/20 0.46
NTSR1 P30989 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL8352838 0.83 GABRA1 (0.70) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL7722415 0.82 GABRA1 (0.69) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL16063032 0.80 GABRA1 (0.67) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL1421181 0.79 KMT2A (0.82) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL7723209 0.78 GABRA1 (0.64) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL18166494 0.78 GABRA1 (0.77) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL9563509 0.77 KMT2A (0.73) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL2843801 0.77 NISCH (0.49) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL23881487 0.76 GABRA1 (0.77) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL638723 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2

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 24 patents — showing the first 20. 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-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-27 US disclosed
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-27 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-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-05-08 US disclosed
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-12-27 US disclosed
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-12-27 US disclosed
US-7235656-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-06-26 US disclosed
US-7235656-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-06-26 US disclosed
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-08 US disclosed
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-08 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
WO-2006004945-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-12 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 (8 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-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRA5 6/4885GABRA3 1/4885
US-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 GABRA1 12/4885GABRA5 5/4885GABRA3 8/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRA5 6/4885GABRA3 1/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRA5 6/4885GABRA3 1/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRA5 6/4885GABRA3 1/4885
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders GABRA3, GABRA6, GABRA4 GABRA1 5/4885GABRA5 6/4885GABRA3 1/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 GABRA1 7/4885GABRA5 4/4885GABRA3 12/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRA1 4/4885GABRA5 1/4885GABRA3 5/4885

“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.