Sugi Predict

Sugi Predict / Compounds / SCHEMBL15927746

SCHEMBL15927746

SCHEMBL15927746

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(O)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
▸ LMNA P02545 3/20 0.77
▸ KDM4E B2RXH2 3/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ GAA P10253 2/20 0.77
▸ HTT P42858 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ DGAT1 O75907 5/20 0.51
▸ NPY2R P49146 1/20 0.38
▸ CYP3A4 P08684 10/20 0.38
▸ ABCB11 O95342 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ CYP8B1 Q9UNU6 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ CXCR1 P25024 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AVPR2 P30518 1/20 0.38

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
SCHEMBL15913069 1.00 MAPT (0.77) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL20710109 0.93 MAPT (0.66) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL15927747 0.91 MAPT (0.62) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL15928329 0.88 MAPT (0.77) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL14764451 0.88 MAPT (0.77) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL2543291 0.87 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL3107523 0.87 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL3111183 0.87 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL9775989 0.80 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL28867143 0.79 GAA (0.76) MAPTLMNAKDM4EALDH1A1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164472-A Itraconazole analogue and application thereof 约翰霍普金斯大学 2021-07-23 — — CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885LMNA 4868/4885KDM4E 2405/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885LMNA 4868/4885KDM4E 2405/4885

“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.