SCHEMBL26404305

SCHEMBL26404305

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ATM Q13315 1/20 0.38
▸ UPP1 Q16831 3/20 0.36
▸ GAA P10253 1/20 0.35
▸ CXCR2 P25025 1/20 0.34
▸ HSD11B1 P28845 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GFER P55789 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 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
SCHEMBL26404316 0.86 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EATMUPP1
SCHEMBL20340026 0.82 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EATMUPP1
SCHEMBL26403864 0.80 KDM4E (0.51) ALDH1A1TSHRKDM4EUPP1GAA
SCHEMBL12818167 0.74 ALDH1A1 (0.78) ALDH1A1TSHRKDM4EUPP1GAA
SCHEMBL26404304 0.73 HSD11B1 (0.34) ALDH1A1TSHRKDM4EGAACXCR2
SCHEMBL20339960 0.71 KDM4E (0.38) ALDH1A1KDM4EGAACXCR2HSD11B1
SCHEMBL20350982 0.68 TSHR (0.40) ALDH1A1TSHRKDM4EATMUPP1
SCHEMBL20350899 0.68 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EATMUPP1
SCHEMBL1086023 0.67 UPP1 (0.53) ALDH1A1KDM4EATMUPP1GAA
SCHEMBL26403858 0.67 KDM4E (0.52) ALDH1A1KDM4EATMUPP1GAA

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 ALDH1A1 370/4885TSHR 4389/4885KDM4E 1040/4885

“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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