SCHEMBL11074635

SCHEMBL11074635

CCn1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
HSD17B3 P37058 1/20 0.51
ALDH1A1 P00352 4/20 0.50
DRD2 P14416 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
DCTPP1 Q9H773 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
SCHEMBL11069441 0.90 MAPT (0.64) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL15912699 0.88 MAPT (0.61) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL14764640 0.87 MAPT (0.60) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL14764626 0.86 MAPT (0.66) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL13499379 0.86 MAPT (0.60) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL15912649 0.86 MAPT (0.59) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL7451368 0.85 MAPT (0.58) MAPTHSD17B3ALDH1A1SMN1; SMN2GAA
SCHEMBL9384752 0.85 MAPT (0.58) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL8501796 0.85 MAPT (0.64) MAPTHSD17B3ALDH1A1DRD2SMN1; SMN2
SCHEMBL18856930 0.84 MAPT (0.64) MAPTHSD17B3ALDH1A1SMN1; 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 9 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-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0006711-B1 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) 1983-10-26 EP 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 (5 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 3556/4885HSD17B3 1498/4885ALDH1A1 1448/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885HSD17B3 1498/4885ALDH1A1 1448/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885HSD17B3 1498/4885ALDH1A1 1448/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 MAPT 2130/4885HSD17B3 1201/4885ALDH1A1 2379/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885HSD17B3 1498/4885ALDH1A1 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.