SCHEMBL14764652

SCHEMBL14764652

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

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.80
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
DGAT1 O75907 3/20 0.46
DRD2 P14416 1/20 0.46
DCTPP1 Q9H773 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CRHR1 P34998 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B3 P37058 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
SCHEMBL3120176 0.89 MAPT (1.00) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2548018 0.89 MAPT (1.00) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL9284781 0.89 MAPT (1.00) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL6943289 0.86 MAPT (0.74) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL9664895 0.86 MAPT (0.78) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL23355990 0.86 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL14764536 0.86 MAPT (0.85) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL6944928 0.85 MAPT (0.72) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL20194400 0.85 MAPT (0.76) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL13568628 0.85 MAPT (0.76) MAPTALDH1A1SMN1; SMN2GAALMNA

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-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-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
EP-3250036-B1 SMALL MOLECULE INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2021-05-12 EP 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-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885SMN1; SMN2 4811/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885SMN1; SMN2 4811/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885SMN1; SMN2 4811/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885ALDH1A1 2379/4885SMN1; SMN2 4595/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 MAPT 4110/4885ALDH1A1 428/4885SMN1; SMN2 4857/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885SMN1; SMN2 4811/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885SMN1; SMN2 4811/4885

“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.