SCHEMBL697251

SCHEMBL697251

O=C(O)c1c(Cl)c(Cl)c(=O)n2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.34
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
MTHFD2 P13995 1/20 0.33

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
SCHEMBL693265 0.85 KMT2A (0.47) KMT2AKDM4EMAPK1MEN1MAP2K1
SCHEMBL2052824 0.85 KDM4E (0.47) KMT2AKDM4EMAPK1HTTMEN1
SCHEMBL2434348 0.81 KMT2A (0.43) KMT2AKDM4EMAPK1MAP2K1ALDH1A1
SCHEMBL21378233 0.81 KMT2A (0.44) KMT2AKDM4EMAPK1HTTMEN1
SCHEMBL696571 0.77 MAPK1 (0.51) KMT2AKDM4EMAPK1MEN1ALDH1A1
SCHEMBL13857265 0.76 KDM4E (0.50) KMT2AKDM4EMAPK1HTTMEN1
SCHEMBL693438 0.75 KMT2A (0.46) KMT2AKDM4EMAPK1MEN1ALDH1A1
SCHEMBL9233695 0.73 KDM4E (0.48) KMT2AKDM4EMAPK1HTTMEN1
SCHEMBL2425927 0.68 MAPK1 (0.55) KMT2AMAPK1HTTMEN1MAP2K1
SCHEMBL2049935 0.67 PDE3B (0.50) KMT2AKDM4EMAPK1MEN1ALDH1A1

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-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 KMT2A 1364/4885KDM4E 973/4885MAPK1 5/4885

“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.