Itraconzole

Itraconzole

SCHEMBL1650334

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.79
ABCG2 Q9UNQ0 4/20 0.79
LMNA P02545 4/20 0.79
MAPT P10636 4/20 0.79
ABCB11 O95342 3/20 0.79
CYP8B1 Q9UNU6 3/20 0.79
CYP51A1 Q16850 3/20 0.79
FYN P06241 2/20 0.79
MEN1 O00255 2/20 0.79
ABCB1 P08183 2/20 0.79
MAPK1 P28482 2/20 0.79
KMT2A Q03164 2/20 0.79
HIF1A Q16665 2/20 0.79
CXCR1 P25024 1/20 0.79
TACR1 P25103 1/20 0.79
AVPR2 P30518 1/20 0.79
CCR4 P51679 1/20 0.79
PDE4D Q08499 1/20 0.79
CYP17A1 P05093 4/20 0.66
CYP19A1 P11511 4/20 0.66

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
Itraconzole SCHEMBL17739437 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL10073778 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL65702 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Saperconazole SCHEMBL65701 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL2615053 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL12887924 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL29371736 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Itraconzole SCHEMBL4149722 1.00 CYP3A4 (0.79) CYP3A4ABCG2LMNAMAPTABCB11
Saperconazole SCHEMBL28021428 0.99 CYP3A4 (0.78) CYP3A4ABCG2LMNAMAPTABCB11
Saperconazole SCHEMBL28133394 0.99 CYP3A4 (0.78) CYP3A4ABCG2LMNAMAPTABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283992-B1 4-[4-[4-[4-[[2-(2,4-Difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]triazolones JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP claimed
US-4916134-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACUETICA N.V. (BE) 1990-04-10 US claimed
EP-3003038-B1 2H-1,2,3-TRIAZOLE DERIVATIVES AS INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2019-08-14 EP disclosed
US-9981956-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-29 US disclosed
US-9981956-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-29 US disclosed
US-20170217943-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-08-03 US disclosed
US-20170217943-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-08-03 US disclosed
US-9663499-B2 Small molecule inhibitors of fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-30 US disclosed
US-9663499-B2 Small molecule inhibitors of fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-30 US disclosed
US-20160130258-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2016-05-12 US disclosed
US-20160130258-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2016-05-12 US disclosed
US-6737082-B1 Pharmaceutical oral preparation of a compound having an antifungic activity, and preparation method LICONSA LIBERACION CONTROLADA DE SUSTANCIAS ACTIVAS, S.A. (ES) 2004-05-18 US disclosed
US-20040019211-A1 Novel conazole crystalline forms and related processes, pharmaceutical compositions and methods TRANSFORM PHARMACEUTICALS, INC. (US) 2004-01-29 US disclosed
WO-2003101392-A2 NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS TRANSFORM PHARMACEUTICALS, INC. (US) 2003-12-11 WO disclosed
EP-1350508-A1 Antifungal formulation and the methods for manufacturing and using the same Yung Shin Pharm. Ind. Co. Ltd. (TW) 2003-10-08 EP disclosed
EP-1103252-B1 PHARMACEUTICAL ORAL PREPARATION OF A COMPOUND HAVING AN ANTIFUNGIC ACTIVITY, AND PREPARATION METHOD LICONSA LIBERACION CONTROLADA (ES) 2003-03-12 EP disclosed
US-20020176894-A1 Antifungal formulation and the methods for manufacturing and using the same CARLSBAD TECHNOLOGY, INC. 2002-11-28 US disclosed
EP-1103252-A1 PHARMACEUTICAL ORAL PREPARATION OF A COMPOUND HAVING AN ANTIFUNGIC ACTIVITY, AND PREPARATION METHOD Liconsa, Liberacion Controlada de Sustancias Activas, S.A. (ES) 2001-05-30 EP disclosed
US-5998413-A FUNGICIDE JANSSEN PHARMACEUTICA, N.V. (BE) 1999-12-07 US disclosed
US-4916134-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACUETICA N.V. (BE) 1990-04-10 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 (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-20160130258-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 CYP3A4 4660/4885ABCG2 3265/4885LMNA 2026/4885
US-20170217943-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 CYP3A4 4660/4885ABCG2 3265/4885LMNA 2026/4885
US-20040019211-A1 Novel conazole crystalline forms and related processes, pharmaceutical compositions and methods CYP51A1, CYP3A5, CYP3A43 CYP3A4 6/4885ABCG2 80/4885LMNA 3045/4885
US-20020176894-A1 Antifungal formulation and the methods for manufacturing and using the same MLEC, SORD, ERG28 CYP3A4 24/4885ABCG2 261/4885LMNA 2767/4885

“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.