Sugi Predict

Sugi Predict / Compounds / SCHEMBL2548018

SCHEMBL2548018

SCHEMBL2548018

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC)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
▸ LMNA P02545 2/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ ALDH1A1 P00352 2/20 0.74
▸ KDM4E B2RXH2 1/20 0.74
▸ GAA P10253 1/20 0.74
▸ HTT P42858 1/20 0.74
▸ DGAT1 O75907 2/20 0.57
▸ CYP3A4 P08684 11/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ CXCR1 P25024 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AVPR2 P30518 1/20 0.46
▸ CCR4 P51679 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PDE4D Q08499 1/20 0.46

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
SCHEMBL9284781 1.00 MAPT (1.00) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3120176 1.00 MAPT (1.00) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14764536 0.92 MAPT (0.85) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9776100 0.90 MAPT (0.80) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8930583 0.89 MAPT (0.81) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19738655 0.89 MAPT (0.81) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14764652 0.89 MAPT (0.80) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9775965 0.88 MAPT (0.78) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9380527 0.88 MAPT (0.77) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14764451 0.88 MAPT (0.77) MAPTLMNASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 — — EP claimed
WO-2022212568-A9 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2023-11-16 — — WO disclosed
WO-2022212568-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2022-10-06 — — WO disclosed
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 — — US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 — — US disclosed
EP-3099679-B1 ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF UNIV CONNECTICUT (US) 2020-05-20 — — EP disclosed
EP-3626242-A1 ITRACONAZOLE ANALOGS AS INHIBITORS OF FIBROSIS The Scripps Research Institute (US) 2020-03-25 — — 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-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
WO-2018115319-A2 INHIBITORS OF CYTOCHROME P450 FAMILY 7 SUBFAMILY B MEMBER 1 (CYP7B1) FOR USE IN TREATING DISEASES Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2018-06-28 — — WO disclosed
US-6346518-B1 ADMINISTERING AS A COMPLEX WITH CYCLODEXTRIN TO TREAT FUNGAL INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-12 — — US disclosed
EP-0631578-B1 ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS JANSSEN PHARMACEUTICA NV (BE) 2001-05-23 — — EP disclosed
EP-0610377-B1 TRI-SUBSTITUTED TETRAHYDROFURAN ANTIFUNGALS SCHERING CORP (US) 2001-01-24 — — EP disclosed
US-5998413-A FUNGICIDE JANSSEN PHARMACEUTICA, N.V. (BE) 1999-12-07 — — US disclosed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 — — EP disclosed
EP-0631578-A1 ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS JANSSEN PHARMACEUTICA N.V. (BE) 1995-01-04 — — EP disclosed
EP-0610377-A1 TRI-SUBSTITUTED TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1994-08-17 — — EP disclosed
WO-1993019061-A1 ITRACONAZOLE AND SAPERCONAZOLE STEREOISOMERS JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-30 — — WO disclosed
WO-1993009114-A1 TRI-SUBSTITUTED TETRAHYDROFURAN ANTIFUNGALS SCHERING CORPORATION (US) 1993-05-13 — — WO disclosed
EP-0539938-A1 Tri-substituted tetrahydrofuran antifungals SCHERING CORPORATION (US) 1993-05-05 — — 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-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885LMNA 4868/4885SMN1; SMN2 4811/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 MAPT 4110/4885LMNA 4875/4885SMN1; SMN2 4857/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885LMNA 4868/4885SMN1; SMN2 4811/4885

“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.