SCHEMBL14764658

SCHEMBL14764658

COCOc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
GAA P10253 5/20 0.53
ALDH1A1 P00352 5/20 0.53
GFER P55789 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ADRA2C P18825 1/20 0.53
PTK2B Q14289 1/20 0.53
ESR2 Q92731 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAD52 P43351 1/20 0.53
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 2/20 0.49
CASP6 P55212 1/20 0.46
HSD17B10 Q99714 3/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL596877 0.84 TDP1 (0.60) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL12186489 0.83 TDP1 (0.68) MAPTGAAALDH1A1GFERKMT2A
SCHEMBL2550544 0.80 TDP1 (0.64) MAPTGAAALDH1A1GFERKMT2A
SCHEMBL17455228 0.80 ADRB1 (0.67) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL12551078 0.78 ALDH1A1 (0.54) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14764435 0.77 MAPT (0.60) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6450623 0.76 SLC18A3 (0.49) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL23347931 0.75 MAPT (0.77) MAPTGAAALDH1A1GFERKMT2A
SCHEMBL7043679 0.75 MAPT (0.77) MAPTGAAALDH1A1GFERKMT2A
SCHEMBL6151120 0.75 MAPT (0.77) MAPTGAAALDH1A1GFERKMT2A

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 11 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-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-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
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 3556/4885GAA 1408/4885ALDH1A1 1448/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885GAA 1408/4885ALDH1A1 1448/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885GAA 1408/4885ALDH1A1 1448/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885GAA 4299/4885ALDH1A1 2379/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885GAA 1408/4885ALDH1A1 1448/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885GAA 1408/4885ALDH1A1 1448/4885

“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.