SCHEMBL14765189

SCHEMBL14765189

[N-]=[N+]=NCCCCCCn1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 5/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
ADRA1D P25100 2/20 0.40
DGAT1 O75907 4/20 0.38
HTR2A P28223 2/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34
HRH2 P25021 1/20 0.34
HTR1B P28222 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL14765052 0.83 MAPT (0.41) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL15912657 0.83 MAPT (0.58) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9666033 0.82 MAPT (0.59) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9279160 0.81 MAPT (0.60) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL14764248 0.80 DGAT1 (0.49) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL7458461 0.78 MAPT (0.56) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9665027 0.78 MAPT (0.62) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL3892586 0.76 DGAT1 (0.46) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9665897 0.75 MAPT (0.65) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9666082 0.75 MAPT (0.62) MAPTKDM4ELMNAGAAALDH1A1

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 8 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

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 2405/4885LMNA 4868/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885LMNA 4868/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885LMNA 4868/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885KDM4E 3294/4885LMNA 4737/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885LMNA 4868/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885LMNA 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.