SCHEMBL3319898

SCHEMBL3319898

COc1ccc(Cn2ccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.78
CYP11B1 P15538 9/20 0.70
CYP11B2 P19099 7/20 0.67
CYP2A6 P11509 1/20 0.64
CYP2B6 P20813 1/20 0.64
FNTA P49354 1/20 0.62
FNTB P49356 1/20 0.62
PGGT1B P53609 1/20 0.62
TBXAS1 P24557 3/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
QPCT Q16769 1/20 0.61
CYP4Z1 Q86W10 1/20 0.61
QPCTL Q9NXS2 1/20 0.61

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
SCHEMBL11702884 0.91 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL6057478 0.86 CYP11B1 (0.68) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL1024261 0.85 CYP11B1 (0.84) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11706257 0.83 KDM4E (0.68) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL2728811 0.83 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1775141 0.83 CYP11B1 (0.81) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL22746812 0.83 CYP11B1 (0.67) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL20601860 0.81 TBXAS1 (0.67) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL10508142 0.81 MEN1 (0.69) CYP19A1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL30023445 0.81 TBXAS1 (0.66) CYP19A1CYP11B1TBXAS1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098761-A Imidazo [4,5-d ] pyridazine derivatives, preparation thereof and therapeutic use thereof 赛诺菲 2023-11-21 CN disclosed
WO-2022050774-A1 NOVEL IMIDAZOLE DERIVATIVE SALT HAVING ANTIFUNGAL ACTIVITY, AND USE THEREOF 경희대학교 산학협력단 2022-03-10 WO disclosed
WO-2018143314-A1 POLYIMIDE PRECURSOR COMPOSITION 東京応化工業株式会社 2018-08-09 WO disclosed
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-17 US disclosed
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-17 US disclosed
US-9981914-B2 2018-05-29 US disclosed
US-9981914-B2 2018-05-29 US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 US disclosed
CN-104447557-B A kind of preparation method of N arylpyrazoles compound and N aryl imidazoles 苏州大学 2017-08-25 CN disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 EP disclosed
US-4863944-A Dopamine-β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-09-05 US disclosed
EP-0125783-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-04 EP disclosed
US-4772723-A Dopamine β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1988-09-20 US disclosed
US-4743613-A Ester prodrugs of dopamine-β-hydroxylase, inhibitors, composition containing them, and method of using them to inhibit dopamine-β-hydroxylase activity SMITHKLINE BECKMAN CORPORATION (US) 1988-05-10 US disclosed
EP-0244956-A1 Ester prodrugs of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-11-11 EP disclosed
US-4632934-A THROMBOXANE SYNTHETASE INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1986-12-30 US disclosed
US-4532331-A 1-Benzyl-2-aminomethyl imidazole derivatives SMITHKLINE BECKMAN CORPORATION (US) 1985-07-30 US disclosed
EP-0125783-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-21 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 (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-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 CYP19A1 820/4885CYP11B1 2697/4885CYP11B2 1971/4885
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element SLC9A2, SLC9A1, NHERF1 CYP19A1 820/4885CYP11B1 2697/4885CYP11B2 1971/4885

“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.