SCHEMBL14765129

SCHEMBL14765129

O=C(c1ccccc1)c1ccc(OCCCCCCn2ncn(-c3ccc(N4CCN(c5ccc(O)cc5)CC4)cc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
HRH4 Q9H3N8 1/20 0.51
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
LTA4H P09960 1/20 0.43
HRH1 P35367 1/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ME2 P23368 1/20 0.42
ME1 P48163 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
SCHEMBL3892586 0.82 DGAT1 (0.46) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL14764248 0.80 DGAT1 (0.49) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL15912657 0.77 MAPT (0.58) KDM4EALDH1A1GAAMAPTHRH1
SCHEMBL9666033 0.76 MAPT (0.59) KDM4EALDH1A1GAAMAPTHRH1
SCHEMBL9279160 0.75 MAPT (0.60) KDM4EALDH1A1GAAMAPTHRH1
SCHEMBL7458461 0.74 MAPT (0.56) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL14764511 0.73 MAPT (0.52) ALDH1A1MAPTHRH1CYP2C9CYP2C19
SCHEMBL14765189 0.73 MAPT (0.47) KDM4EALDH1A1GAAMAPTHRH1
SCHEMBL9665027 0.72 MAPT (0.62) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL15912649 0.71 MAPT (0.59) KDM4EALDH1A1GAAMAPTHRH1

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 HRH3 2121/4885HRH4 1525/4885KDM4E 2405/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR HRH3 2121/4885HRH4 1525/4885KDM4E 2405/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR HRH3 2121/4885HRH4 1525/4885KDM4E 2405/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 HRH3 4055/4885HRH4 2911/4885KDM4E 3294/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR HRH3 2121/4885HRH4 1525/4885KDM4E 2405/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR HRH3 2121/4885HRH4 1525/4885KDM4E 2405/4885

“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.