SCHEMBL20710109

SCHEMBL20710109

CCCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)c(F)c2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
ALDH1A1 P00352 5/20 0.66
LMNA P02545 4/20 0.66
KDM4E B2RXH2 3/20 0.66
GAA P10253 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
DGAT1 O75907 5/20 0.44
PKM P14618 1/20 0.36
NPY2R P49146 1/20 0.35
NPC1 O15118 3/20 0.35
MAOB P27338 3/20 0.35
ABCB11 O95342 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL15927746 0.93 MAPT (0.77) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL15913069 0.93 MAPT (0.77) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL15927747 0.84 MAPT (0.62) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL15928329 0.82 MAPT (0.77) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL14764451 0.82 MAPT (0.77) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL3107523 0.80 MAPT (1.00) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL2543291 0.80 MAPT (1.00) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL3111183 0.80 MAPT (1.00) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL14764536 0.75 MAPT (0.85) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL9665148 0.75 MAPT (0.77) MAPTALDH1A1LMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR MAPT 3556/4885ALDH1A1 1448/4885LMNA 4868/4885

“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.