SCHEMBL102280

SCHEMBL102280

CC1(c2ccc3c(c2)OCO3)NC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1B1 P15121 1/20 0.43
MAPT P10636 3/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 2/20 0.41
SCN9A Q15858 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL103407 0.91 LMNA (0.50) LMNAHTTAKR1B1MAPTKMT2A
SCHEMBL543048 0.88 LMNA (0.48) LMNAHTTAKR1B1MAPTKMT2A
SCHEMBL542674 0.78 MAPT (0.44) HTTKDM4EALDH1A1AKR1B1MAPT
SCHEMBL104120 0.78 LMNA (0.47) LMNAAKR1B1MAPTSLC6A4KMT2A
SCHEMBL101672 0.78 LMNA (0.47) LMNAAKR1B1MAPTKMT2AMEN1
SCHEMBL4317934 0.77 LMNA (0.46) LMNAAKR1B1MAPTKMT2AMEN1
SCHEMBL542720 0.77 SCN9A (0.43) KMT2ASCN9AMEN1
SCHEMBL542576 0.76 NR1H2 (0.43) ALDH1A1AKR1B1SLC6A4SLC6A3KMT2A
SCHEMBL103988 0.75 LMNA (0.47) LMNAKDM4EALDH1A1AKR1B1MAPT
SCHEMBL1091785 0.75 LMNA (0.47) LMNAKDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
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-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP 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
US-7951822-B2 1,3-dihydroisobenzofuran derivatives KOWA COMPANY, LTD. (JP) 2011-05-31 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
EP-2264029-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVE Kowa Company, Ltd. (JP) 2010-12-22 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US 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
US-20090247587-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVES KOWA COMPANY, LTD. (JP) 2009-10-01 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 (5 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 LMNA 1575/4885HTT 2209/4885KDM4E 3663/4885
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 LMNA 1674/4885HTT 2349/4885KDM4E 3381/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR LMNA 1288/4885HTT 3382/4885KDM4E 4240/4885
US-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR LMNA 1606/4885HTT 1838/4885KDM4E 3844/4885
US-20090247587-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVES SREBF1, NR1H2, LDLR LMNA 2181/4885HTT 2846/4885KDM4E 4036/4885

“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.