SCHEMBL2543291

SCHEMBL2543291

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
KDM4E B2RXH2 3/20 1.00
LMNA P02545 3/20 1.00
ALDH1A1 P00352 2/20 1.00
GAA P10253 2/20 1.00
HTT P42858 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
DGAT1 O75907 5/20 0.62
PKM P14618 1/20 0.44
CYP3A4 P08684 10/20 0.42
MEN1 O00255 1/20 0.42
ABCB11 O95342 1/20 0.42
FYN P06241 1/20 0.42
ABCB1 P08183 1/20 0.42
CXCR1 P25024 1/20 0.42
TACR1 P25103 1/20 0.42
MAPK1 P28482 1/20 0.42
AVPR2 P30518 1/20 0.42
CCR4 P51679 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3107523 1.00 MAPT (1.00) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL3111183 1.00 MAPT (1.00) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL9775989 0.89 MAPT (0.80) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL14765200 0.89 MAPT (0.80) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL23355483 0.89 MAPT (0.80) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL12240584 0.89 MAPT (0.80) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL19730460 0.89 MAPT (0.80) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL23678506 0.89 MAPT (0.80) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL16975619 0.89 MAPT (0.80) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL16249928 0.88 MAPT (0.78) MAPTKDM4ELMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102614-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS JOHNS HOPKINS UNIVERSITY 2013-04-25 US claimed
CN-109970669-B Preparation method of intermediate compound of itraconazole 上海医药工业研究院 2022-10-28 CN disclosed
EP-3424911-B1 POSACONAZOLE, COMPOSITION, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USES THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-07-28 EP disclosed
EP-3250036-B1 SMALL MOLECULE INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2021-05-12 EP disclosed
EP-3099679-B1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF UNIV CONNECTICUT (US) 2020-05-20 EP disclosed
EP-3003038-B1 2H-1,2,3-TRIAZOLE DERIVATIVES AS INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2019-08-14 EP disclosed
US-10336735-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 US 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-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 US disclosed
WO-1993019061-A1 ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-30 WO disclosed
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 disclosed
US-5039676-A Fungicide, antiallergens SCHERING CORPORATION (US) 1991-08-13 US disclosed
US-5023258-A Triazole antifungal agents PFIZER INC. (US) 1991-06-11 US disclosed
EP-0386143-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1990-09-12 EP disclosed
US-4916134-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACUETICA N.V. (BE) 1990-04-10 US disclosed
EP-0352946-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-01-31 EP disclosed
WO-1989004829-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1989-06-01 WO disclosed
EP-0318214-A1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORPORATION (US) 1989-05-31 EP 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 (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-10336735-B2 Small molecule inhibitors of fibrosis MMP1, COL2A1, MMP8 MAPT 4142/4885KDM4E 2499/4885LMNA 2026/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 MAPT 4142/4885KDM4E 2499/4885LMNA 2026/4885
US-20130102614-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS TEK, KDR, FLT1 MAPT 4131/4885KDM4E 4383/4885LMNA 4600/4885

“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.