SCHEMBL1003891

SCHEMBL1003891

O=C(O)c1cc2c([nH]1)C(=Cc1cc(F)cc(Cl)c1)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
BLM P54132 3/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
GRIN1 Q05586 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
RHEB Q15382 3/20 0.34
KDM4E B2RXH2 3/20 0.34

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
SCHEMBL1003890 1.00 HPGD (0.35) HPGDBLMTSHRCYP2C19GRIN1
SCHEMBL1004098 0.77 CYP1A2 (0.46) HPGDCYP1A2KDM4ELMNAALDH1A1
SCHEMBL1054865 0.77 CYP1A2 (0.46) HPGDCYP1A2KDM4ELMNAALDH1A1
SCHEMBL1004097 0.77 CYP1A2 (0.46) HPGDCYP1A2KDM4ELMNAALDH1A1
SCHEMBL1004704 0.69 XDH (0.48) MEN1KMT2ACYP1A2ALDH1A1MIF
SCHEMBL1004727 0.68 SERPINH1 (0.36) HPGDBLMMEN1KMT2ACYP1A2
SCHEMBL1004726 0.68 SERPINH1 (0.36) HPGDBLMMEN1KMT2ACYP1A2
SCHEMBL1004724 0.68 SERPINH1 (0.36) HPGDBLMMEN1KMT2ACYP1A2
SCHEMBL1006834 0.66 ALOX15 (0.48) HPGDBLMTSHRCYP2C19GRIN1
SCHEMBL1005746 0.64 MIF (0.45) MEN1KMT2ACYP1A2LMNAALDH1A1

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 HPGD 624/4885BLM 4815/4885TSHR 4620/4885

“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.