SCHEMBL7308583

SCHEMBL7308583

O=C1CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.76
GABRA5 P31644 8/20 0.76
GABRA3 P34903 8/20 0.76
GABRA2 P47869 7/20 0.76
GABRB2 P47870 6/20 0.76
GABRG2 P18507 6/20 0.76
GABRB3 P28472 6/20 0.76
GABRP O00591 2/20 0.76
GABRD O14764 2/20 0.76
GABRB1 P18505 2/20 0.76
GABRA4 P48169 2/20 0.76
GABRE P78334 2/20 0.76
GABRA6 Q16445 2/20 0.76
GABRG1 Q8N1C3 2/20 0.76
GABRG3 Q99928 2/20 0.76
GABRQ Q9UN88 2/20 0.76
ADRA1A P35348 1/20 0.76
LMNA P02545 2/20 0.73
PDE4D Q08499 2/20 0.73
HPGD P15428 1/20 0.73

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
SCHEMBL7376244 0.87 CHRM1 (0.73) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL13746712 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL29743048 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL29361251 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL38899 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL29369721 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL13747803 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL5501860 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL9834407 0.85 GABRA1 (0.98) GABRA1GABRA5GABRA3GABRA2GABRB2
Clonazepam SCHEMBL31321724 0.85 GABRA1 (0.98) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof INSTITUT CURIE (FR) 2026-01-20 US disclosed
US-20100197516-A1 DETECHIP: MOLECULAR COLOR AND FLUORESCENT SENSORY ARRAYS FOR SMALL MOLECULES HOLMES ANDREA 2010-08-05 US disclosed
US-20100197516-A1 DETECHIP: MOLECULAR COLOR AND FLUORESCENT SENSORY ARRAYS FOR SMALL MOLECULES HOLMES ANDREA 2010-08-05 US disclosed
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO disclosed
EP-0801651-B1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6174881-B1 USED AS ANXIOLYTIC AND/OR ANTICONVULSANT AND/OR MUSCLE RELAXANT AGENTS; SEDATIVES OR HYPNOSIS; WATER-SOLUBLE AMINE SALTS; FAST-ACTING HOFFMAN-LA ROCHE INC. 2001-01-16 US disclosed
WO-1996020941-A1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS F. HOFFMANN-LA ROCHE AG (CH) 1996-07-11 WO disclosed
US-4472435-A HYPOTENSIVE AGENT, ALDOSTERONE ANTAGONIST, AND TREATMENT OF HEPATITIS HOFFMAN-LA ROCHE INC. (US) 1984-09-18 US disclosed
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US disclosed
EP-0045450-B1 BENZOPHENONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-15 EP disclosed
US-4349476-A IMIDAZO/1,5-A//1,4) BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINE HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349477-A IMIPAZO/1,5-A//1,4/BENZO-, THIENO- OR PYRAZOLODIAZEPINES FROM 2-DIMORPHOLINOPHOSPHONATES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4347365-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4347364-A INTERMEDIATES THEREFOR HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
EP-0045450-A1 Benzophenone derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 EP disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
US-4118386-A Synthesis of imidazo[1,5-a]diazepine-3-carboxylates HOFFMANN-LA ROCHE INC. (US) 1978-10-03 US disclosed
US-3996209-A Process for preparing benzodiazepines HOFFMANN-LA ROCHE INC. (US) 1976-12-07 US disclosed
US-3956492-A SEDATIVES, MUSCLE RELAXANTS, TRANQUILIZERS, ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-05-11 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 (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-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof STXBP1, RNGTT, UPF1 GABRA1 879/4885GABRA5 1254/4885GABRA3 740/4885

“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.