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Sugi Predict / Compounds / SCHEMBL9664895

SCHEMBL9664895

SCHEMBL9664895

COc1ccc(N2CCN(c3ccc(-n4cnn(C(C)C)c4=O)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.78
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ DGAT1 O75907 3/20 0.54
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL6752264 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7449371 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6750795 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7449366 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6750794 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7461552 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL3120176 0.88 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2548018 0.88 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9284781 0.88 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6752273 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 — — US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 — — US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 — — US disclosed
EP-3626242-A1 ITRACONAZOLE ANALOGS AS INHIBITORS OF FIBROSIS The Scripps Research Institute (US) 2020-03-25 — — 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
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 — — US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 — — US disclosed
US-9072660-B2 Topical itraconazole formulations and uses thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-07 — — US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 — — US disclosed
US-20130109700-A1 Topical Itraconazole Formulations and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-02 — — US disclosed
WO-2013036866-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-03-14 — — 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-4916134-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACUETICA N.V. (BE) 1990-04-10 — — US 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 (7 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-20130109700-A1 Topical Itraconazole Formulations and Uses Thereof CYP51A1, GABBR1, KRT18 MAPT 1308/4885ALDH1A1 1866/4885LMNA 3844/4885
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885ALDH1A1 2379/4885LMNA 4737/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885

“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.