SCHEMBL543015

SCHEMBL543015

CC(C)(C)c1ccc(C2(C)NC(=O)NC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
TNKS O95271 1/20 0.45
MGAT2 Q10469 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
NPC1 O15118 1/20 0.37
ADAM17 P78536 1/20 0.36
NOTUM Q6P988 1/20 0.36
MMP14 P50281 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
SCHEMBL543065 0.84 MEN1 (0.48) MEN1KMT2ALMNATNKSMMP2
SCHEMBL542561 0.79 LMNA (0.53) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL20134878 0.79 LMNA (0.53) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL4385865 0.78 LMNA (0.51) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL542817 0.78 LMNA (0.51) MEN1KMT2ALMNATNKSMMP2
SCHEMBL10131744 0.78 LMNA (0.51) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL6135313 0.78 LMNA (0.51) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL204119 0.78 LMNA (0.51) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL17054772 0.78 MEN1 (0.55) MEN1KMT2ALMNATNKSMMP2
SCHEMBL17570773 0.78 LMNA (0.51) MEN1KMT2ALMNATNKSMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP disclosed
WO-1997006153-A1 4-ALKYL-1,3-OXA(THIA)ZOLINE DERIVATIVES, THEIR PREPARATION AND USE FOR CONTROLLING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 WO 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 MEN1 3926/4885KMT2A 1414/4885LMNA 1674/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR MEN1 3823/4885KMT2A 2383/4885LMNA 1288/4885

“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.