SCHEMBL543294

SCHEMBL543294

CC(C)Oc1ccc(C2(C)NC(=O)NC2=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX3 P56373 4/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
TNKS O95271 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNF P01375 1/20 0.34
ADAM17 P78536 1/20 0.33

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
SCHEMBL542150 0.85 LMNA (0.59) LMNAMEN1KMT2ATNKSALDH1A1
SCHEMBL542810 0.84 LMNA (0.56) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL542441 0.81 MMP14 (0.46) GAAP2RX3MMP8MMP14TNF
SCHEMBL542805 0.79 LMNA (0.55) LMNAMEN1KMT2AMMP8MMP14
SCHEMBL20134957 0.77 LMNA (0.52) LMNAMEN1KMT2AMMP8MMP14
SCHEMBL20134959 0.77 LMNA (0.52) LMNAMEN1KMT2AMMP8MMP14
SCHEMBL103835 0.77 LMNA (0.56) LMNAGAAMEN1KMT2AMMP8
SCHEMBL103911 0.75 LMNA (0.51) LMNAGAAMEN1KMT2AMMP8
SCHEMBL542564 0.74 LMNA (0.64) LMNAMEN1KMT2ATNKSADAM17
SCHEMBL543066 0.73 MEN1 (0.46) LMNAGAAMEN1KMT2ATNKS

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 10 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
US-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 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
US-20100016327-A1 QUINOLINE COMPOUNDS KOWA COMPANY, LTD. (JP) 2010-01-21 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP 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 (3 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 LMNA 1674/4885GAA 2035/4885MEN1 3926/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR LMNA 1288/4885GAA 1874/4885MEN1 3823/4885
US-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR LMNA 1606/4885GAA 504/4885MEN1 3490/4885

“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.