SCHEMBL26403828

SCHEMBL26403828

Cc1cc(=O)[nH]c(SCc2cc(C(=O)O)ccc2Cl)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ HPGD P15428 3/20 0.57
▸ TSHR P16473 1/20 0.55
▸ LMNA P02545 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HTT P42858 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HSD11B1 P28845 4/20 0.44

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
SCHEMBL26404277 0.90 ALDH1A1 (0.60) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL26403811 0.89 KMT2A (0.53) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL26403974 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL26403939 0.85 ALDH1A1 (0.57) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL20339400 0.85 KDM4E (0.60) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL20340021 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL20339861 0.78 KDM4E (0.60) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL26404295 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL26404033 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AHPGDTSHRLMNA
SCHEMBL26403985 0.75 TSHR (0.56) ALDH1A1KMT2AHPGDTSHRLMNA

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 370/4885KMT2A 1309/4885HPGD 311/4885

“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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