SCHEMBL9665148

SCHEMBL9665148

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 3/20 0.77
LMNA P02545 3/20 0.77
GAA P10253 3/20 0.77
HTT P42858 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
DGAT1 O75907 6/20 0.59
PKM P14618 1/20 0.53
TDP1 Q9NUW8 3/20 0.38
ROCK2 O75116 1/20 0.38
FYN P06241 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALK Q9UM73 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL23355908 0.89 MAPT (0.73) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL23355364 0.89 MAPT (0.73) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6752606 0.88 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6748762 0.88 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL8196645 0.88 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6748764 0.88 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6752323 0.88 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL14902011 0.87 MAPT (0.60) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL3107523 0.87 MAPT (1.00) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL2543291 0.87 MAPT (1.00) MAPTKDM4EALDH1A1LMNAGAA

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 11 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
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-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 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 (6 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-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885ALDH1A1 1448/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885ALDH1A1 1448/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885ALDH1A1 1448/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885KDM4E 3294/4885ALDH1A1 2379/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885ALDH1A1 1448/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885ALDH1A1 1448/4885

“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.