SCHEMBL15927747

SCHEMBL15927747

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
DGAT1 O75907 3/20 0.49
CYP3A4 P08684 12/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABCB11 O95342 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
CYP8B1 Q9UNU6 2/20 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 0.91 MAPT (0.77) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL15927746 0.91 MAPT (0.77) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL14764451 0.89 MAPT (0.77) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL15928329 0.89 MAPT (0.77) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL19730460 0.87 MAPT (0.80) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL12240584 0.87 MAPT (0.80) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL20710109 0.84 MAPT (0.66) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL14044074 0.80 MAPT (0.66) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL23678506 0.78 MAPT (0.80) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL23355483 0.78 MAPT (0.80) MAPTLMNAALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4868/4885ALDH1A1 1448/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR MAPT 3556/4885LMNA 4868/4885ALDH1A1 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.