SCHEMBL26404313

SCHEMBL26404313

Cc1c(C#N)c(SCc2nnn[nH]2)[nH]c(=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 4/20 0.36
▸ GFER P55789 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD11B1 P28845 9/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26404304 0.89 HSD11B1 (0.34) CXCR2GFERTSHRKDM4EHSD11B1
SCHEMBL26404229 0.87 KDM4E (0.40) TSHRKDM4EHSD11B1ALDH1A1LMNA
SCHEMBL20339475 0.84 HSD11B1 (0.34) CXCR2KDM4EHSD11B1
SCHEMBL20340086 0.83 HSD11B1 (0.33) CXCR2GFERTSHRKDM4EHSD11B1
SCHEMBL26404230 0.80 ALDH1A1 (0.56) TSHRKDM4EALDH1A1LMNAHTT
SCHEMBL20339549 0.77 HSD11B1 (0.34) KDM4EHSD11B1
SCHEMBL32688034 0.76 PDE9A (0.43) CXCR2KDM4EHTT
SCHEMBL26404316 0.75 ALDH1A1 (0.46) CXCR2GFERTSHRKDM4EHSD11B1
SCHEMBL20339450 0.74 KDM4E (0.58) TSHRKDM4EALDH1A1LMNAHTT
SCHEMBL32688401 0.74 POLB (0.37) CXCR2GFERTSHRKDM4EHSD11B1

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-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 — — 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-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 CXCR2 4197/4885GFER 1137/4885TSHR 4389/4885

“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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