SCHEMBL11262318

SCHEMBL11262318

CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 1.00
GABRA5 P31644 8/20 1.00
GABRA2 P47869 8/20 1.00
GABRA3 P34903 7/20 1.00
GABRG2 P18507 6/20 1.00
GABRB3 P28472 6/20 1.00
GABRB2 P47870 6/20 0.78
GABRP O00591 1/20 0.68
GABRD O14764 1/20 0.68
CACNA1F O60840 1/20 0.68
ALB P02768 1/20 0.68
GABRB1 P18505 1/20 0.68
OPRK1 P41145 1/20 0.68
AKR1C3 P42330 1/20 0.68
GABRA4 P48169 1/20 0.68
AKR1C2 P52895 1/20 0.68
GABRE P78334 1/20 0.68
CACNA1D Q01668 1/20 0.68
AKR1C1 Q04828 1/20 0.68
KCNH2 Q12809 1/20 0.68

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
SCHEMBL29588960 0.88 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL2871536 0.88 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL5042562 0.88 GABRA1 (0.78) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11256869 0.85 GABRA1 (0.80) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL7724678 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
Diazepam SCHEMBL21641843 0.83 GABRA1 (0.88) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL5034709 0.83 GABRA1 (0.71) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL5038321 0.83 GABRA1 (0.71) GABRA1GABRA5GABRA2GABRA3GABRG2
Diazepam SCHEMBL3043280 0.82 GABRA1 (0.97) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL24194446 0.82 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRA3GABRG2

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-20240390311-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-28 US claimed
EP-4405049-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS The Regents of the University of California (US) 2024-07-31 EP claimed
US-20230381125-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-30 US claimed
EP-4217002-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS The Regents of the University of California (US) 2023-08-02 EP claimed
WO-2023101899-A1 COMPOSITIONS AND METHODS FOR AMELIORATING SJOGREN'S SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-08 WO claimed
WO-2023048781-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-30 WO claimed
WO-2022067044-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-31 WO claimed
US-20220079952-A1 Uses of Radiation and Benzodiazepine Derivatives in Cancer Therapies UNIV EMORY (US) 2022-03-17 US claimed
US-20250313537-A1 BENZODIAZEPINE ANALOGS AND METHODS OF USE IN TREATING CANCER UNIVERSITY OF CINCINNATI (US) 2025-10-09 US disclosed
US-20250163130-A1 LIGAND GATED ION CHANNELS AND METHODS OF USE SWITCH BIO, INC. 2025-05-22 US disclosed
US-20250152742-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2025-05-15 US disclosed
US-20240390311-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-28 US disclosed
US-20240317834-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2024-09-26 US disclosed
EP-4405049-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS RELATING TO CORONAVIRUS INFECTIONS The Regents of the University of California (US) 2024-07-31 EP disclosed
US-20220348635-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2022-11-03 US disclosed
EP-4017874-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES Coda Biotherapeutics, Inc. (US) 2022-06-29 EP disclosed
WO-2022067044-A1 COMPOSITIONS AND METHODS FOR AMELIORATING MEDICAL CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-31 WO disclosed
US-20220079952-A1 Uses of Radiation and Benzodiazepine Derivatives in Cancer Therapies UNIV EMORY (US) 2022-03-17 US disclosed
US-4327026-A Benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 1982-04-27 US disclosed
EP-0045452-A2 Benzodiazepine derivatives, intermediates and their preparation, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 EP 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 (6 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-20220079952-A1 Uses of Radiation and Benzodiazepine Derivatives in Cancer Therapies GABBR1, GABBR2, GABRA3 GABRA1 5/4885GABRA5 8/4885GABRA2 7/4885
US-20250152742-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 GABRA1 138/4885GABRA5 152/4885GABRA2 82/4885
US-20250163130-A1 LIGAND GATED ION CHANNELS AND METHODS OF USE CACNB2, CHRNA2, HCN3 GABRA1 175/4885GABRA5 184/4885GABRA2 139/4885
US-20240317834-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 GABRA1 138/4885GABRA5 152/4885GABRA2 82/4885
US-20250313537-A1 BENZODIAZEPINE ANALOGS AND METHODS OF USE IN TREATING CANCER GABRA3, GABRB3, GABRA4 GABRA1 6/4885GABRA5 5/4885GABRA2 8/4885
US-20220348635-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 GABRA1 138/4885GABRA5 152/4885GABRA2 82/4885

“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.