SCHEMBL408358

SCHEMBL408358

OC(CCc1ccc(F)cc1)Cn1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.58
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56

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 SCHEMBL407952 0.99 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2
SCHEMBL8805939 0.92 CYP19A1 (0.63) CYP19A1CYP11B1CYP11B2
SCHEMBL11759493 0.91 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2
SCHEMBL10247118 0.87 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL10927212 0.87 CYP11B1 (0.53) CYP19A1CYP11B1
SCHEMBL10247196 0.86 AGER (0.47)
SCHEMBL411443 0.86 HMOX1 (0.57) CYP19A1CYP11B1CYP11B2
SCHEMBL8803353 0.86 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2
SCHEMBL8804330 0.86 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2
SCHEMBL409343 0.86 ALDH1A1 (0.59) CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US claimed
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
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-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-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
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-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 US disclosed
EP-0005980-B1 DERIVATIVES OF SUBSTITUTED N-ALKYL IMIDAZOLES, THEIR PREPARATION AND THESE COMPOUNDS FOR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed
US-4272545-A FUNGICIDES, BACTERICIDE, ANTIPROTOZOA, SPERMATOCIDE SYNTEX (U.S.A.) INC. (US) 1981-06-09 US disclosed
US-4213991-A BACTERICIDES, FUNGICIDES, ANTIPROTOZOA SYNTEX (U.S.A.) INC. (US) 1980-07-22 US disclosed
EP-0005980-A2 Derivatives of substituted N-alkyl imidazoles, their preparation and these compounds for pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1979-12-12 EP disclosed
US-4078071-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1978-03-07 US disclosed
US-4045568-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-30 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 (3 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

“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.