SCHEMBL406793

SCHEMBL406793

O=C(CCc1ccc(Cl)cc1)Cn1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.59
CYP2A6 P11509 1/20 0.58
CYP19A1 P11511 1/20 0.58
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
CYP2B6 P20813 1/20 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
Hydrochloric Acid SCHEMBL408821 0.99 TBXAS1 (0.60) TBXAS1CYP2A6CYP19A1CYP11B1CYP11B2
SCHEMBL8803483 0.92 TBXAS1 (0.60) TBXAS1CYP2A6CYP19A1CYP11B1CYP11B2
SCHEMBL11237835 0.87 TBXAS1 (0.58) TBXAS1CYP2A6CYP19A1CYP11B1CYP11B2
SCHEMBL10247382 0.87 CYP11B1 (0.58) TBXAS1CYP11B1CYP11B2
SCHEMBL10247518 0.87 CYP19A1 (0.59) TBXAS1CYP19A1
SCHEMBL8804091 0.86 CYP19A1 (0.56) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8803778 0.86 TBXAS1 (0.56) TBXAS1
SCHEMBL8802725 0.86 WDR5 (0.49) TBXAS1CYP11B1CYP11B2
SCHEMBL410653 0.86 CYP19A1 (0.58) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11269558 0.86 PLA2G4A (0.58) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688096-B2 Methods for treatment of sleep-related breathing disorders THE UNIVERSITY OF CHICAGO (US) 2020-06-23 US disclosed
US-9095589-B2 Chirally pure isomers of itraconazole for use as angiogenesis inhibitors JOHNS HOPKINS UNIVERSITY (US) 2015-08-04 US disclosed
US-9095589-B2 Chirally pure isomers of itraconazole for use as angiogenesis inhibitors JOHNS HOPKINS UNIVERSITY (US) 2015-08-04 US disclosed
US-9095589-B2 Chirally pure isomers of itraconazole for use as angiogenesis inhibitors JOHNS HOPKINS UNIVERSITY (US) 2015-08-04 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
WO-2013155218-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2013-10-17 WO disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
EP-0649423-A1 PROCESS FOR PREPARING 1,3-DIOXOLANE DERIVATIVES. SYNTEX INC (US) 1995-04-26 EP disclosed
US-5274108-A Process for preparing 1,3-dioxolane derivatives SYNTEX (U.S.A.) INC. (US) 1993-12-28 US disclosed
WO-1993025549-A1 PROCESS FOR PREPARING 1,3-DIOXOLANE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-12-23 WO disclosed
US-5208331-A Process for preparing 1,3-dioxolane derivatives SYNTEX (U.S.A.) INC. (US) 1993-05-04 US disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 EP disclosed
US-4375474-A BACTERICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1983-03-01 US disclosed
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 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-10688096-B2 Methods for treatment of sleep-related breathing disorders HCRTR2, HCRTR1, CHRNB3 TBXAS1 2654/4885CYP2A6 3384/4885CYP19A1 3800/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TBXAS1 1071/4885CYP2A6 863/4885CYP19A1 641/4885

“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.