SCHEMBL26404304

SCHEMBL26404304

Cc1c(C#N)c(SCc2nnn[nH]2)[nH]c(=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 13/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ GAA P10253 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
SCHEMBL26404229 0.90 KDM4E (0.40) HSD11B1KDM4EALDH1A1NPC1LMNA
SCHEMBL26404313 0.89 CXCR2 (0.36) HSD11B1KDM4EALDH1A1NPC1LMNA
SCHEMBL20340086 0.86 HSD11B1 (0.33) HSD11B1KDM4EALDH1A1TSHRCXCR2
SCHEMBL26404230 0.80 ALDH1A1 (0.56) KDM4EALDH1A1NPC1LMNAMAPT
SCHEMBL32688401 0.79 POLB (0.37) HSD11B1KDM4EALDH1A1NPC1LMNA
SCHEMBL32688034 0.79 PDE9A (0.43) KDM4ECXCR2
SCHEMBL20339475 0.77 HSD11B1 (0.34) HSD11B1KDM4ECXCR2
SCHEMBL20339549 0.77 HSD11B1 (0.34) HSD11B1KDM4E
SCHEMBL32688253 0.76 CXCR2 (0.36) CXCR2
SCHEMBL32688008 0.75 MEN1 (0.42) HSD11B1ALDH1A1CXCR2

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 HSD11B1 1135/4885KDM4E 1040/4885ALDH1A1 370/4885

“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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