SCHEMBL13625653

SCHEMBL13625653

O=C(O)c1cc(Cc2ccc(Cl)cc2)c(Br)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
RHEB Q15382 4/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
NOTUM Q6P988 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL1149196 0.87 DAO (0.56) DAORHEBF7F3KMT2A
SCHEMBL9816498 0.74 RHEB (0.48) DAORHEBF7F3KMT2A
SCHEMBL13625736 0.74 ALDH1A1 (0.40) DAOKMT2AMEN1MAPTKDM4E
SCHEMBL1245237 0.73 RHEB (0.44) DAORHEBF7F3KMT2A
SCHEMBL1244167 0.73 DAO (0.47) DAORHEBF7F3KDM4C
SCHEMBL1149617 0.72 DAO (0.56) DAORHEBF7F3KMT2A
SCHEMBL11820351 0.71 ALDH1A1 (0.49) KMT2AMEN1MAPT
SCHEMBL11812482 0.71 MEN1 (0.51) KMT2AKDM4CMEN1MAPTKDM4E
SCHEMBL11817656 0.71 KMT2A (0.48) KMT2AKDM4CMEN1MAPTKDM4E
SCHEMBL12858354 0.70 DAO (0.77) DAORHEBKMT2AKDM4CMAPT

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-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885RHEB 2038/4885F7 1341/4885

“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.