SCHEMBL140771

SCHEMBL140771

CC(C)(C)N(/C=[N+](\c1ccccc1)C(C)(C)C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CRHBP P24387 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31
TLR9 Q9NR96 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL139849 0.70 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL23896443 0.67 MEN1 (0.37) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3913823 0.61 ALDH1A1 (0.39) KMT2ACYP3A4ALDH1A1
SCHEMBL5942990 0.61 MEN1 (0.42) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2119823 0.60 ALDH1A1 (0.38) KMT2ACYP3A4ALDH1A1ATM
SCHEMBL2119818 0.60 MEN1 (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL45354 0.60 MEN1 (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2056786 0.60 MEN1 (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL95298 0.58 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL21612148 0.56 MEN1 (0.38) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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-8530687-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-09-10 US disclosed
US-20120059182-A1 Catalysts, Methods of Makting Catalysts, and Methods of Use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 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-20120059182-A1 Catalysts, Methods of Makting Catalysts, and Methods of Use DKC1, ADCK1, AMD1 MEN1 919/4885KMT2A 410/4885CYP3A4 3344/4885

“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.