SCHEMBL9369294

SCHEMBL9369294

c1csc(Cn2ccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 18/20 0.55
CYP11B2 P19099 16/20 0.55
CYP19A1 P11511 5/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
TBXAS1 P24557 1/20 0.53
QPCT Q16769 1/20 0.53
CYP4Z1 Q86W10 1/20 0.53
QPCTL Q9NXS2 1/20 0.53
CYP17A1 P05093 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47

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
SCHEMBL10646248 0.79 HTT (0.48) MAPT
SCHEMBL13907297 0.77 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL9664139 0.77 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL448303 0.77 HTT (0.50) MAPT
SCHEMBL9198880 0.75 EGLN3 (0.49) CYP19A1TBXAS1
SCHEMBL11308705 0.75 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL10926603 0.75 AGER (0.48) CYP19A1POLB
SCHEMBL1334550 0.74 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Hydrochloric Acid SCHEMBL9123187 0.74 EGLN3 (0.48) TBXAS1
SCHEMBL2728903 0.71 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779565-B2 Small organic molecules for use in the treatment of neuroinflammatory disorders The Medical Research, Infrastructure and Health Services Fund of the Tel Aviv Medical Center (IL) 2023-10-10 US disclosed
CN-1284066-A Substituted imidazole derivatives having agonist-like activity at alpha 2B or 2B/2C adrenergic receptors ALLERGEN SALES INC (US) 2001-02-14 CN disclosed
EP-0244803-B1 Novel dopamine beta hydroxylase inhibitors MERRELL DOW PHARMA (US) 1994-10-26 EP disclosed
EP-0301456-B1 Novel (aryl or heteroaromatic methyl)-2,2'-BI-1H-imidazoles MERRELL DOW PHARMA (US) 1994-02-02 EP disclosed
CN-1016173-B NOVEL (ARYL OR HETERVAROMATIC METHYL) -2,2'-BI-1H-IMIDAZOLES PROCESS MERRELL DOW PHARMA (US) 1992-04-08 CN disclosed
US-5017591-A Enzyme inhibitors MERRELL DOW PHARMACEUTICALS (US) 1991-05-21 US disclosed
CN-1034718-A Novel (aryl or heteroaryl methyl)-2,2 '-two-1H-imidazoles MERRELL DOW PHARMA (US) 1989-08-16 CN disclosed
US-4839375-A (Aryl or heteroaromatic methyl)-2,2'-bi-1H-imidazoles and their use as anti-hypertensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-13 US disclosed
US-4810800-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1989-03-07 US disclosed
EP-0301456-A2 Novel (aryl or heteroaromatic methyl)-2,2'-BI-1H-imidazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1989-02-01 EP disclosed
CN-87103323-A The method for preparing new Dopamine HCL, hydroxylase inhibitors 1988-02-03 CN disclosed
EP-0244803-A2 Novel dopamine beta hydroxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1987-11-11 EP disclosed
EP-0071059-B1 6-(5-(OMEGA-(1-IMIDAZOLYL)-ALKYL)-THIEN-2-YL)-3-OXO-2,3,4,5-TETRAHYDROPYRIDAZINES AND THEIR ACID-ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1986-09-24 EP disclosed
US-4504479-A 6-{5-[ω-(1-Imidazolyl)-alkyl]-thien-2-yl}-3-oxo-2,3,4,5-tetrahydro-pyridazines and acid addition salts thereof and a process for the treatment of inflammatory atherosclerotic and thrombo-embolic, illnesses in humans A. NATTERMANN & CIE GMBH (DE) 1985-03-12 US disclosed
EP-0071059-A2 6-(5-(Omega-(1-imidazolyl)-alkyl)-thien-2-yl)-3-oxo-2,3,4,5-tetrahydropyridazines and their acid-addition salts, process for their preparation and pharmaceutical compounds containing them A. Nattermann & Cie. GmbH (DE) 1983-02-09 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 (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-11779565-B2 Small organic molecules for use in the treatment of neuroinflammatory disorders BMP1, BMP2, BMP4 CYP11B1 3064/4885CYP11B2 2618/4885CYP19A1 4683/4885

“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.