SCHEMBL26847243

SCHEMBL26847243

N#Cc1c(Cc2ccccc2)nc(SCc2nnc[nH]2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 4/20 0.53
▸ CXCR2 P25025 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GFER P55789 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ RAPGEF4 Q8WZA2 1/20 0.48
▸ POLB P06746 8/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ TNF P01375 2/20 0.46
▸ NOD2 Q9HC29 2/20 0.46
▸ NOD1 Q9Y239 2/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ HSD11B1 P28845 1/20 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
SCHEMBL24087923 0.83 ACMSD (0.53) ACMSDCXCR2ALDH1A1HPGDGFER
SCHEMBL26847488 0.80 ALDH1A1 (0.54) ACMSDCXCR2ALDH1A1HPGDGFER
SCHEMBL23853755 0.78 ACMSD (0.53) ACMSDCXCR2ALDH1A1HPGDGFER
SCHEMBL24087924 0.76 ACMSD (0.75) ACMSDGFERPOLBMEN1KMT2A
SCHEMBL31053412 0.76 ACMSD (0.66) ACMSDCXCR2ALDH1A1HPGDGFER
SCHEMBL31053417 0.76 ACMSD (0.75) ACMSDGFERPOLBMEN1KMT2A
SCHEMBL23853677 0.76 ACMSD (0.54) ACMSDCXCR2ALDH1A1HPGDGFER
SCHEMBL24087946 0.76 ACMSD (0.66) ACMSDCXCR2ALDH1A1HPGDGFER
SCHEMBL26847262 0.76 GFER (0.58) ACMSDCXCR2ALDH1A1HPGDGFER
SCHEMBL24088139 0.76 MAPK1 (0.55) ACMSDCXCR2ALDH1A1HPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 — — 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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885CXCR2 4864/4885ALDH1A1 171/4885

“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.

Send feedback