SCHEMBL8804091

SCHEMBL8804091

Cc1ccc(CCC(=O)Cn2ccnc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
TBXAS1 P24557 5/20 0.56
PLA2G4A P47712 1/20 0.52
HMOX2 P30519 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL408146 0.99 TBXAS1 (0.57) CYP19A1CYP11B1CYP11B2TBXAS1PLA2G4A
SCHEMBL8803506 0.92 TBXAS1 (0.56) CYP19A1CYP11B1CYP11B2TBXAS1PLA2G4A
SCHEMBL8803778 0.89 TBXAS1 (0.56) TBXAS1PLA2G4AHMOX2
SCHEMBL11269558 0.89 PLA2G4A (0.58) TBXAS1PLA2G4AHMOX2
SCHEMBL11253750 0.87 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL10247518 0.87 CYP19A1 (0.59) CYP19A1TBXAS1PLA2G4A
SCHEMBL10247382 0.87 CYP11B1 (0.58) CYP11B1CYP11B2TBXAS1PLA2G4AHMOX2
SCHEMBL11266304 0.86 PLA2G4A (0.65) CYP19A1TBXAS1PLA2G4A
SCHEMBL410653 0.86 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2TBXAS1PLA2G4A
SCHEMBL406793 0.86 TBXAS1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 CYP19A1 884/4885CYP11B1 61/4885CYP11B2 68/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885CYP11B1 63/4885CYP11B2 60/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885CYP11B1 63/4885CYP11B2 60/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 614/4885CYP11B1 55/4885CYP11B2 52/4885

“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.