SCHEMBL11295102

SCHEMBL11295102

COC(=O)c1c(C=O)cc(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 9/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
PLA2G2A P14555 2/20 0.37
ERN1 O75460 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 2/20 0.36
MPI P34949 1/20 0.36
ATR Q13535 1/20 0.36
CYP2C9 P11712 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL1710208 0.83 KDM4E (0.44) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL24685164 0.81 ALDH1A1 (0.43) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL30029431 0.81 ALDH1A1 (0.43) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL29192341 0.81 ALDH1A1 (0.43) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL30430258 0.80 ALDH1A1 (0.50) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL1085042 0.80 ALDH1A1 (0.50) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL25343847 0.78 KDM4E (0.54) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL24685165 0.77 KDM4E (0.38) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL14660349 0.77 ALDH1A1 (0.43) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL1987390 0.77 KDM4E (0.42) KDM4ECYP3A4ALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 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-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 KDM4E 838/4885CYP3A4 1376/4885CYP1A2 824/4885

“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.