SCHEMBL539101

SCHEMBL539101

COc1ccc(C2(C)NC(=O)NC2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADAM17 P78536 1/20 0.52
TNKS O95271 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
AKR1B1 P15121 2/20 0.41

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
SCHEMBL29019957 0.85 LMNA (1.00) LMNAMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL543062 0.82 LMNA (0.60) LMNAMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL541337 0.81 MEN1 (0.68) LMNAMEN1KMT2AADAM17TNKS
SCHEMBL103835 0.81 LMNA (0.56) LMNAMEN1KMT2AADAM17TNKS
SCHEMBL542485 0.80 LMNA (0.55) LMNAMEN1KMT2AADAM17TNKS
SCHEMBL11721916 0.80 CYP2C9 (0.58) LMNASMN1; SMN2NPSR1ALDH1A1MMP2
SCHEMBL542561 0.79 LMNA (0.53) LMNAMEN1KMT2AADAM17TNKS
SCHEMBL20134878 0.79 LMNA (0.53) LMNAMEN1KMT2AADAM17TNKS
SCHEMBL542399 0.79 MEN1 (0.64) LMNAMEN1KMT2AADAM17ALDH1A1
SCHEMBL1092530 0.79 LMNA (0.54) LMNAMEN1KMT2AADAM17MMP13

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 9 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
US-5770615-A Catecholamine surrogates useful as β3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-23 US disclosed
WO-1997037646-A1 CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-16 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 LMNA 1674/4885MEN1 3926/4885KMT2A 1414/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR LMNA 1288/4885MEN1 3823/4885KMT2A 2383/4885

“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.