SCHEMBL14765200

SCHEMBL14765200

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.80
KDM4E B2RXH2 3/20 0.80
GAA P10253 3/20 0.80
LMNA P02545 2/20 0.80
ALDH1A1 P00352 2/20 0.80
HTT P42858 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
DGAT1 O75907 5/20 0.50
PKM P14618 1/20 0.42
OPRD1 P41143 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 1/20 0.36
DRD4 P21917 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2543291 0.89 MAPT (1.00) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL3107523 0.89 MAPT (1.00) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL3111183 0.89 MAPT (1.00) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL23354985 0.87 MAPT (0.61) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL20639894 0.87 MAPT (0.61) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL16249928 0.86 MAPT (0.78) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL6939980 0.85 MAPT (0.73) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL12067678 0.85 MAPT (0.77) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL9665148 0.85 MAPT (0.77) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL14764652 0.85 MAPT (0.80) MAPTKDM4EGAALMNAALDH1A1

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 13 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-9102664-B2 Process for the preparation of triazole antifungal drug, its intermediates and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-08-11 US disclosed
US-9102664-B2 Process for the preparation of triazole antifungal drug, its intermediates and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-08-11 US disclosed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 US disclosed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
WO-2013042138-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-03-28 WO 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 (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-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885GAA 1408/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885GAA 1408/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885GAA 1408/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885KDM4E 3294/4885GAA 4299/4885
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof CYP3A4, CYP51A1, CYP1B1 MAPT 1385/4885KDM4E 2621/4885GAA 505/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885GAA 1408/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885KDM4E 2405/4885GAA 1408/4885

“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.