SCHEMBL26403945

SCHEMBL26403945

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ATM Q13315 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.37
▸ GAA P10253 5/20 0.37
▸ HPGD P15428 5/20 0.37
▸ GLA P06280 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ UPP1 Q16831 4/20 0.34
▸ HSD17B10 Q99714 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 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
SCHEMBL26403858 0.82 KDM4E (0.52) KDM4ERECQLTDP1ATMALDH1A1
SCHEMBL20340092 0.75 KDM4E (0.38) KDM4ERECQLTDP1ATMALDH1A1
SCHEMBL20340085 0.74 KDM4E (0.44) KDM4ERECQLTDP1ATMALDH1A1
SCHEMBL1694758 0.73 KDM4E (0.61) KDM4EATMALDH1A1GAAHPGD
SCHEMBL26404316 0.70 ALDH1A1 (0.46) KDM4ETDP1ATMALDH1A1GAA
SCHEMBL19021858 0.67 TRPV4 (0.35) KDM4EATMALDH1A1HPGDGLA
SCHEMBL475086 0.66 KDM4E (0.46) KDM4ERECQLTDP1ATMALDH1A1
SCHEMBL18162324 0.65 TRPV4 (0.33) KDM4EATMALDH1A1TRPV4
SCHEMBL20339968 0.64 KDM4E (1.00) KDM4ERECQLTDP1ALDH1A1GAA
SCHEMBL11048587 0.64 TRPV4 (0.32) KDM4EATMALDH1A1TRPV4

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 KDM4E 1040/4885RECQL 2418/4885TDP1 986/4885

“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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