SCHEMBL542485

SCHEMBL542485

CC1(c2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
SCN9A Q15858 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
TNKS O95271 1/20 0.41
ADAM17 P78536 1/20 0.41
SLC6A4 P31645 2/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL26965573 0.82 LMNA (0.50) LMNAMEN1KMT2ASCN9ACTSD
SCHEMBL539101 0.80 LMNA (0.74) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL543065 0.79 MEN1 (0.48) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL542586 0.76 LMNA (0.51) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL17570773 0.76 LMNA (0.51) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL541337 0.76 MEN1 (0.68) LMNAMEN1KMT2AMMP2MMP13
SCHEMBL103835 0.76 LMNA (0.56) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL20134878 0.74 LMNA (0.53) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL542561 0.74 LMNA (0.53) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL542399 0.74 MEN1 (0.64) LMNAMEN1KMT2AMMP2MMP9

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 4 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
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 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 (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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 LMNA 1674/4885MEN1 3926/4885KMT2A 1414/4885

“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.