SCHEMBL2400709

SCHEMBL2400709

COC(=O)c1ccc(C=Cc2ccc(OC)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
NPC1 O15118 2/20 0.59
LMNA P02545 2/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
F3 P13726 2/20 0.51
MAPK1 P28482 2/20 0.50
GPR183 P32249 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL2400706 1.00 MAPT (0.62) MAPTNPC1LMNACA1CA2
SCHEMBL2400180 0.87 MAPT (0.64) MAPTNPC1LMNACA1CA2
SCHEMBL2400178 0.87 MAPT (0.64) MAPTNPC1LMNACA1CA2
SCHEMBL30644141 0.86 KMT2A (0.52) MAPTNPC1LMNAALDH1A1KDM4E
SCHEMBL26643204 0.86 KMT2A (0.52) MAPTNPC1LMNAALDH1A1KDM4E
SCHEMBL6413331 0.85 L3MBTL1 (0.54) MAPTNPC1LMNACA1CA2
SCHEMBL6413338 0.85 L3MBTL1 (0.54) MAPTNPC1LMNACA1CA2
SCHEMBL12294524 0.85 MAPT (0.79) MAPTNPC1LMNACA1CA2
SCHEMBL6641237 0.84 MAPK1 (0.51) MAPTNPC1LMNAALDH1A1CYP3A4
SCHEMBL6641242 0.84 MAPK1 (0.51) MAPTNPC1LMNAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP disclosed
US-8012967-B2 Minor groove binders UNIVERSITY OF STRATHCLYDE (GB) 2011-09-06 US disclosed
US-20100016311-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2010-01-21 US disclosed
EP-2066627-A1 NOVEL MINOR GROOVE BINDERS The University of Strathclyde (GB) 2009-06-10 EP disclosed
WO-2008038018-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2008-04-03 WO disclosed
US-4009174-A VASODILATORS THE BOOTS COMPANY LIMITED (EN) 1977-02-22 US 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-20100016311-A1 NOVEL MINOR GROOVE BINDERS TOP2B, DNA2, CTCF MAPT 2452/4885NPC1 2012/4885LMNA 918/4885

“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.