SCHEMBL2314993

SCHEMBL2314993

O=C(O)c1cc2cc(Br)ccc2nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.48
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GPR35 Q9HC97 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SORT1 Q99523 2/20 0.45
RXFP1 Q9HBX9 5/20 0.44
KDM4E B2RXH2 3/20 0.44
PPARG P37231 3/20 0.44
NCOR2 Q9Y618 3/20 0.44
GLA P06280 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL22743009 0.87 KEAP1 (0.46) DHODHGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL29253558 0.83 MAPT (0.51) RXFP1ALDH1A1POLBMAPTHPGD
SCHEMBL30682029 0.83 ALDH1A1 (0.50) DHODHGPR35KEAP1NFE2L2MEN1
SCHEMBL2310035 0.83 ALDH1A1 (0.50) DHODHGPR35KEAP1NFE2L2MEN1
SCHEMBL7266030 0.81 L3MBTL1 (0.53) RXFP1KDM4EALDH1A1MAPTHPGD
SCHEMBL26617507 0.80 KEAP1 (0.54) DHODHKEAP1NFE2L2MEN1KMT2A
SCHEMBL16945099 0.80 KMT2A (0.71) DHODHMEN1KMT2AKDM4EALDH1A1
SCHEMBL2312424 0.78 ALDH1A1 (0.57) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL31105819 0.77 HTT (0.54) KEAP1NFE2L2MEN1KMT2AKDM4E
SCHEMBL529351 0.77 HTT (0.54) KEAP1NFE2L2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A DHODH 1439/4885GRIN1 11/4885GRIN2A 3/4885

“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.