SCHEMBL2398703

SCHEMBL2398703

O=C(O)c1ccc(C=Cc2cc3ccccc3nc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ALOX5 P09917 2/20 0.58
HCAR2 Q8TDS4 1/20 0.50
CYSLTR2 Q9NS75 2/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
SLC16A3 O15427 1/20 0.45
GSK3B P49841 1/20 0.44
THRB P10828 2/20 0.44
MAPT P10636 1/20 0.44
MGAM O43451 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL2398701 1.00 MEN1 (0.61) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL6958095 0.79 ALOX5 (0.65) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL6958102 0.79 ALOX5 (0.65) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL20513134 0.78 ALOX5 (0.81) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL20513133 0.78 ALOX5 (0.81) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL2399856 0.77 KDM4E (0.71) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2399852 0.77 KDM4E (0.71) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2397368 0.76 PDGFRB (0.71) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL31516522 0.76 PDGFRB (0.71) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL2397362 0.76 PDGFRB (0.71) MEN1KMT2ANPC1RAB9AGAA

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 5 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

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 MEN1 3754/4885KMT2A 970/4885NPC1 2012/4885

“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.