Midazolam

Midazolam

SCHEMBL20658917

Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Midazolam. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 5/20 0.74
GABRA5 known ✓ P31644 5/20 0.74
GABRA2 known ✓ P47869 5/20 0.74
GABRA3 known ✓ P34903 4/20 0.74
GABRG2 known ✓ P18507 1/20 0.74
GABRB3 known ✓ P28472 1/20 0.74
GABRB2 known ✓ P47870 4/20 0.60
OPRK1 P41145 3/20 0.79
PDE4D Q08499 2/20 0.79
CYP3A4 P08684 2/20 0.79
SLC22A1 O15245 1/20 0.79
ABCB11 O95342 1/20 0.79
DRD3 P35462 1/20 0.79
HTR2A P28223 1/20 0.74
ADRA1A P35348 1/20 0.74
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PTAFR P25105 8/20 0.60
TSHR P16473 1/20 0.60
LMNA P02545 2/20 0.58

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
Midazolam SCHEMBL28086280 0.91 OPRK1 (0.67) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL29735381 0.89 OPRK1 (1.00) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL29480459 0.89 OPRK1 (1.00) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL5783371 0.89 OPRK1 (1.00) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL29565146 0.89 OPRK1 (1.00) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL35061 0.89 OPRK1 (1.00) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL29357425 0.89 OPRK1 (1.00) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL29445200 0.88 OPRK1 (0.98) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL1311204 0.88 OPRK1 (0.98) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL41265 0.88 OPRK1 (0.98) OPRK1PDE4DCYP3A4SLC22A1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10786518-B2 Compositions and methods of treating HIV JANSSEN SCIENCES IRELAND UC (IE) 2020-09-29 US disclosed
EP-3654951-A1 COMPOSITIONS COMPRISING DARUNAVIR, COBICISTAT, EMTRICITABINE AND TENOFOVIR ALAFENAMIDE FOR USE IN THE TREATMENT OF HIV Janssen Sciences Ireland Unlimited Company (IE) 2020-05-27 EP disclosed
WO-2019018676-A1 COMPOSITIONS COMPRISING DARUNAVIR, COBICISTAT, EMTRICITABINE AND TENOFOVIR ALAFENAMIDE FOR USE IN THE TREATMENT OF HIV Janssen Sciences Ireland Unlimited Company (IE) 2019-01-24 WO disclosed
US-20190022113-A1 Compositions and Methods of Treating HIV JANSSEN PHARMACEUTICA NV (BE) 2019-01-24 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 (2 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-20190022113-A1 Compositions and Methods of Treating HIV SAMHD1, TYMP, MTAP GABRA1 2952/4885GABRA5 2650/4885GABRA2 3523/4885
US-10786518-B2 Compositions and methods of treating HIV SAMHD1, TYMP, MTAP GABRA1 2952/4885GABRA5 2650/4885GABRA2 3523/4885

“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.