SCHEMBL3143162

SCHEMBL3143162

CC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.71
GABRA5 P31644 2/20 0.71
GABRA3 P34903 2/20 0.71
GABRA2 P47869 2/20 0.71
GABRB2 P47870 2/20 0.71
CHRM1 P11229 2/20 0.70
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
CCKBR P32239 12/20 0.54
CCKAR P32238 6/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL3417103 1.00 GABRA1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3416882 1.00 GABRA1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8722144 0.86 GABRA1 (0.55) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3417928 0.83 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3418814 0.83 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL21272248 0.83 CHRM1 (0.74) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7935883 0.83 CHRM1 (0.74) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3128620 0.83 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL21272216 0.83 CHRM1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11464107 0.81 MEN1 (0.58) GABRA1GABRA5GABRA3GABRA2GABRB2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247973-B2 Antiviral benzodiazepine compounds THE UNIVERSITY OF DURHAM (GB) 2022-02-15 US disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
US-20210017138-A1 An Antimicrobial Compound THE UNIVERSITY OF DURHAM (GB) 2021-01-21 US disclosed
EP-3535253-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 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-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996030393-A1 A METHOD FOR THE SYNTHESIS OF MIXTURES OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
EP-0663856-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1995-07-26 EP disclosed
WO-1994008711-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-04-28 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 (7 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 GABRA1 12/4885GABRA5 5/4885GABRA3 8/4885
US-11247973-B2 Antiviral benzodiazepine compounds GABRA5, GABRA1, GABRA6 GABRA1 2/4885GABRA5 1/4885GABRA3 7/4885
US-20210017138-A1 An Antimicrobial Compound FPR1, CFTR, FPR2 GABRA1 4284/4885GABRA5 4189/4885GABRA3 4564/4885
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases CHRM1, CHRM2, CHRM4 GABRA1 63/4885GABRA5 81/4885GABRA3 86/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 GABRA1 1672/4885GABRA5 1918/4885GABRA3 1620/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 GABRA1 63/4885GABRA5 81/4885GABRA3 86/4885
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.