SCHEMBL1313752

SCHEMBL1313752

Cc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.60
GABRA5 P31644 4/20 0.60
GABRA3 P34903 4/20 0.60
GABRA2 P47869 4/20 0.60
OPRK1 P41145 3/20 0.60
PDE4D Q08499 2/20 0.60
GABRG2 P18507 1/20 0.60
HTR2A P28223 1/20 0.60
GABRB3 P28472 1/20 0.60
ADRA1A P35348 1/20 0.60
TDP1 Q9NUW8 1/20 0.53
SLC22A1 O15245 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
DRD3 P35462 1/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
GABRB2 P47870 3/20 0.48

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
SCHEMBL7314894 0.92 GABRA1 (0.60) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL7312917 0.91 GABRA1 (0.59) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11016370 0.91 GABRA1 (0.46) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL1311112 0.90 OPRK1 (0.63) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL7311446 0.90 GABRA1 (0.58) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11538983 0.90 TDP1 (0.55) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL7310152 0.90 OPRK1 (0.60) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL7307697 0.89 GABRA1 (0.57) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL11541230 0.89 OPRK1 (0.53) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL7309925 0.88 GABRA3 (0.55) GABRA1GABRA5GABRA3GABRA2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557981-B2 Process for the synthesis of 4H-imidazo [1,5-a] [1,4] benzodiazepines, in particular midazolam and salts thereof F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2013-10-15 US disclosed
US-20110275799-A1 PROCESS FOR THE SYNTHESIS OF 4H-IMIDAZO [1,5-a] [1,4] BENZODIAZEPINES, IN PARTICULAR MIDAZOLAM AND SALTS THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A (IT) 2011-11-10 US disclosed
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US disclosed
US-4425272-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1984-01-10 US disclosed
US-4401597-A INTERMEDIATES FOR ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVE AND ANXIOLYTICS HOFFMANN-LA ROCHE INC. (US) 1983-08-30 US disclosed
US-4390471-A INTERMEDIATES FOR IMIDOBENZODIAZEPINE AND ANALOGS HOFFMANN-LA ROCHE INC. (US) 1983-06-28 US disclosed
US-4377523-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1983-03-22 US disclosed
US-4376075-A REACTION OF AN AMINODERIVATIVE THEREOF WITH AN ALDEHYDE HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4376074-A ANTICONVULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4371468-A ANTICONVULSANTS, MUSCLE RELAXANTS, AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-02-01 US disclosed
US-4368157-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368158-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368159-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US 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-4349475-A IMIDAZO/1,5-A//1,4/BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZOTHIENO-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
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

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-20110275799-A1 PROCESS FOR THE SYNTHESIS OF 4H-IMIDAZO [1,5-a] [1,4] BENZODIAZEPINES, IN PARTICULAR MIDAZOLAM AND SALTS THEREOF CYP3A4, CYP3A5, GABRA5 GABRA1 5/4885GABRA5 3/4885GABRA3 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.