SCHEMBL1004727

SCHEMBL1004727

COC(=O)c1cc2c([nH]1)CCC2=Cc1cc(F)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.36
CYP1A2 P05177 1/20 0.35
XDH P47989 2/20 0.33
ALPL P05186 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2B6 P20813 1/20 0.32
MPI P34949 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL1004726 1.00 SERPINH1 (0.36) SERPINH1CYP1A2XDHALPLMEN1
SCHEMBL1004724 1.00 SERPINH1 (0.36) SERPINH1CYP1A2XDHALPLMEN1
SCHEMBL1004165 0.84 EGFR (0.40) ALPLMEN1KMT2AKDM4EMAPT
SCHEMBL1081766 0.84 HSD11B1 (0.42) CYP1A2ALPLMEN1KMT2AKDM4E
SCHEMBL1004163 0.84 EGFR (0.40) ALPLMEN1KMT2AKDM4EMAPT
SCHEMBL1081767 0.84 HSD11B1 (0.42) CYP1A2ALPLMEN1KMT2AKDM4E
SCHEMBL2074470 0.83 ALPL (0.38) ALPLMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2074468 0.83 ALPL (0.38) ALPLMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2074466 0.83 ALPL (0.38) ALPLMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2077301 0.83 IKBKB (0.43) ALPLMEN1KMT2ALMNASMN1; SMN2

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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE SERPINH1 1520/4885CYP1A2 2041/4885XDH 9/4885

“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.