SCHEMBL26847431

SCHEMBL26847431

O=c1[nH]c(SCc2ncn[nH]2)nc(C(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.44
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ CXCR2 P25025 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ FABP3 P05413 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ MAPT P10636 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
SCHEMBL24087901 0.79 DAO (0.43) DAOALDH1A1CXCR2MAOBHPGD
SCHEMBL24087900 0.70 DAO (0.47) DAOLMNAALDH1A1MAOBHPGD
SCHEMBL24087886 0.66 DAO (0.43) DAOLMNACXCR2MAOBHPGD
SCHEMBL24687935 0.63 COMT (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14486370 0.62 DAO (0.68) DAOALDH1A1MAOBHPGDFABP3
SCHEMBL14485852 0.62 DAO (1.00) DAOALDH1A1CXCR2MAOBHPGD
SCHEMBL23853738 0.56 FABP4 (0.54) LMNAHPGDTSHRCASP7FABP3
SCHEMBL22139858 0.55 HPGD (0.44) LMNAALDH1A1HPGDTSHRKDM4E
SCHEMBL24087940 0.54 MEN1 (0.55) LMNAHPGDFABP3FABP4MEN1
SCHEMBL22013189 0.54 ALDH1A1 (0.38) LMNAALDH1A1HPGDKDM4EKMT2A

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 DAO 66/4885LMNA 2315/4885ALDH1A1 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.

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