SCHEMBL14902011

SCHEMBL14902011

Cc1ccc(N2CCN(c3ccc(-n4cnn(C(C)C)c4=O)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
DGAT1 O75907 6/20 0.57
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRB1 P08588 1/20 0.39
ROCK2 O75116 1/20 0.39
AKR1C3 P42330 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL25160198 0.91 MAPT (0.47) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL9665148 0.87 MAPT (0.77) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20639915 0.87 MAPT (0.58) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL12240584 0.87 MAPT (0.80) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL19730460 0.87 MAPT (0.80) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL9664895 0.85 MAPT (0.78) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6941180 0.84 ALDH1A1 (0.55) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL13116055 0.83 DGAT1 (0.51) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL13114922 0.82 DGAT1 (0.57) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL13114760 0.81 DGAT1 (0.59) MAPTKDM4EALDH1A1LMNAGAA

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-9072660-B2 Topical itraconazole formulations and uses thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-07 US disclosed
US-20130109700-A1 Topical Itraconazole Formulations and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-02 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 (1 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-20130109700-A1 Topical Itraconazole Formulations and Uses Thereof CYP51A1, GABBR1, KRT18 MAPT 1308/4885KDM4E 4093/4885ALDH1A1 1866/4885

“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.