SCHEMBL26404209

SCHEMBL26404209

COC(=O)CSc1[nH]c(=O)c(Cl)c(C)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ ALDH1A1 P00352 9/20 0.46
▸ HPGD P15428 7/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ TP53 P04637 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ TSHR P16473 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL26404205 0.85 KDM4E (0.48) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL26404220 0.85 MAPT (0.51) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL26404299 0.85 MAPT (0.51) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL20339499 0.83 CYP1A2 (0.47) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL20340131 0.76 CYP1A2 (0.49) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL26404201 0.75 TSHR (0.74) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL20340100 0.74 CYP1A2 (0.47) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL20340161 0.73 CYP1A2 (0.47) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL26403864 0.72 KDM4E (0.51) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL26404229 0.70 KDM4E (0.40) KDM4EMAPTKMT2AALDH1A1TSHR

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 1040/4885MAPT 2985/4885KMT2A 1309/4885

“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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