SCHEMBL11069441

SCHEMBL11069441

CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
DRD2 P14416 2/20 0.57
HSD17B3 P37058 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL15912699 0.93 MAPT (0.61) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL14764640 0.92 MAPT (0.60) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL15912649 0.91 MAPT (0.59) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL11074635 0.90 MAPT (0.67) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL13499379 0.89 MAPT (0.60) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL14764296 0.87 MAPT (0.64) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL26499294 0.86 MAPT (0.48) MAPTDRD2SMN1; SMN2ALDH1A1LMNA
SCHEMBL9665027 0.85 MAPT (0.62) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL14764626 0.84 MAPT (0.66) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1
SCHEMBL13499383 0.84 MAPT (0.54) MAPTDRD2HSD17B3SMN1; SMN2ALDH1A1

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-20230321082-A1 USE OF TRIAZOLE ANALOGUES FOR INHIBITION OF A TRIPARTITE VOR PROTEIN COMPLEX IN MULTICELLULAR ORGANISMS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2023-10-12 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-9650365-B2 Itraconazole analogues and methods of use thereof UNIVERSITY OF CONNECTICUT (US) 2017-05-16 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
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP 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-20230321082-A1 USE OF TRIAZOLE ANALOGUES FOR INHIBITION OF A TRIPARTITE VOR PROTEIN COMPLEX IN MULTICELLULAR ORGANISMS RABL3, VAPA, VAPB MAPT 1524/4885DRD2 3895/4885HSD17B3 3037/4885
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885DRD2 3870/4885HSD17B3 1498/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885DRD2 3870/4885HSD17B3 1498/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885DRD2 3870/4885HSD17B3 1498/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885DRD2 3277/4885HSD17B3 1201/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885DRD2 3870/4885HSD17B3 1498/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885DRD2 3870/4885HSD17B3 1498/4885

“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.