SCHEMBL4592672

SCHEMBL4592672

CCC(C)n1nc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR3 P49019 1/20 0.32
ACHE P22303 3/20 0.32
NR1H2 P55055 1/20 0.31
PKM P14618 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
PDE4A P27815 2/20 0.30
ADORA2A P29274 2/20 0.30
PDE4B Q07343 2/20 0.30

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
SCHEMBL5722345 1.00 L3MBTL1 (0.36) L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL21211664 0.85 GAA (0.39) ALDH1A1KDM4ELMNAGAAACHE
SCHEMBL22562822 0.82 CYP1A2 (0.34) CYP1A2HCAR3ACHEPDE4AADORA2A
SCHEMBL29445748 0.79 NR1H2 (0.32) NR1H2
SCHEMBL30269815 0.79 NR1H2 (0.32) NR1H2
SCHEMBL22643976 0.74 GRIA1 (0.40) L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL30269819 0.73 NR1H2 (0.31) NR1H2
SCHEMBL21943143 0.68 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL30291852 0.68 MMP9 (0.33) L3MBTL1ALDH1A1HTTMEN1CYP1A2
SCHEMBL13349255 0.67 MEN1 (0.33) L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0631578-A1 ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS JANSSEN PHARMACEUTICA N.V. (BE) 1995-01-04 EP claimed
WO-1993019061-A1 ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-30 WO claimed
CN-118512393-A Itraconazole oral liquid and preparation method thereof 无锡富泽药业有限公司 2024-08-20 CN disclosed
CN-114767636-B Itraconazole pellets, preparation method and itraconazole pellet capsule 苏州中化药品工业有限公司 2023-11-07 CN disclosed
CN-114767684-B Pharmaceutical composition, itraconazole pellets, preparation method and itraconazole capsules 苏州中化药品工业有限公司 2023-10-27 CN disclosed
CN-109970669-B Preparation method of intermediate compound of itraconazole 上海医药工业研究院 2022-10-28 CN disclosed
CN-114767636-A Itraconazole pellet, preparation method and itraconazole pellet capsule 苏州中化药品工业有限公司 2022-07-22 CN disclosed
CN-114767684-A Pharmaceutical composition, itraconazole pellet, preparation method and itraconazole capsule 苏州中化药品工业有限公司 2022-07-22 CN disclosed
US-11369601-B2 Prophylactic or therapeutic agent for pulmonary hypertension comprising mebendazole and/or itraconazole or salt thereof TOHOKU UNIVERSITY (JP) 2022-06-28 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
US-9839636-B2 Itraconazole analogues and methods of use thereof UNIVERSITY OF CONNECTICUT (US) 2017-12-12 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
EP-1718640-A4 NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME TRANSFORM PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed
EP-1718640-A1 NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME Transform Pharmaceuticals, Inc. (US) 2006-11-08 EP disclosed
WO-2005092884-A1 NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME TRANSFORM PHARMACEUTICALS, INC. (US) 2005-10-06 WO disclosed
WO-2004050068-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A BASIC RESPECTIVELY ACIDIC DRUG COMPOUND, A SURFACTANT AND A PHYSIOLOGICALLY TOLERABLE WATER-SOLUBLE ACID RESPECTIVELY BASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-17 WO disclosed
EP-0283992-A2 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) 1988-09-28 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-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 L3MBTL1 2489/4885MAPT 2270/4885ALDH1A1 590/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR L3MBTL1 3546/4885MAPT 3556/4885ALDH1A1 1448/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR L3MBTL1 3546/4885MAPT 3556/4885ALDH1A1 1448/4885
US-11369601-B2 Prophylactic or therapeutic agent for pulmonary hypertension comprising mebendazole and/or itraconazole or salt thereof ERG28, NHERF1, REN L3MBTL1 4320/4885MAPT 4066/4885ALDH1A1 2052/4885

“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.