SCHEMBL14764451

SCHEMBL14764451

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)c(F)c2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
DGAT1 O75907 1/20 0.47
CYP3A4 P08684 12/20 0.41
ABCB11 O95342 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CYP8B1 Q9UNU6 2/20 0.41
MEN1 O00255 1/20 0.41
FYN P06241 1/20 0.41
ABCB1 P08183 1/20 0.41
CXCR1 P25024 1/20 0.41
TACR1 P25103 1/20 0.41
MAPK1 P28482 1/20 0.41
AVPR2 P30518 1/20 0.41
CCR4 P51679 1/20 0.41

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
SCHEMBL15928329 1.00 MAPT (0.77) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL15927747 0.89 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9380527 0.89 MAPT (0.77) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL15927746 0.88 MAPT (0.77) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL15913069 0.88 MAPT (0.77) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL3120176 0.88 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9284781 0.88 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2548018 0.88 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL20710109 0.82 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9776100 0.80 MAPT (0.80) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360111-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-10-31 US disclosed
US-12071430-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-08-27 US disclosed
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
WO-2020072830-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2020-04-09 WO 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 (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-20240360111-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 MAPT 4110/4885ALDH1A1 428/4885LMNA 4875/4885
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-12071430-B2 Itraconazole analogs and use thereof CYP3A4, SHH, GLI1 MAPT 4110/4885ALDH1A1 428/4885LMNA 4875/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 MAPT 4110/4885ALDH1A1 428/4885LMNA 4875/4885
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.