SCHEMBL26404230

SCHEMBL26404230

Cc1cc(=O)[nH]c(SCc2nnn[nH]2)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ TSHR P16473 1/20 0.55
▸ KMT2A Q03164 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 6/20 0.47
▸ HTT P42858 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ PKM P14618 2/20 0.44
▸ UPP1 Q16831 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL20339450 0.82 KDM4E (0.58) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL26404304 0.80 HSD11B1 (0.34) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL26404313 0.80 CXCR2 (0.36) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL26404295 0.79 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL26404249 0.79 ALDH1A1 (0.47) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL32687986 0.78 KMT2A (0.39) ALDH1A1KMT2AHPGDLMNAHTT
SCHEMBL26404229 0.78 KDM4E (0.40) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL32688226 0.77 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL32688192 0.77 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL32688138 0.77 KMT2A (0.41) ALDH1A1TSHRKMT2AHPGDTDP1

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 4389/4885KMT2A 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.

Send feedback