SCHEMBL26847597

SCHEMBL26847597

CCc1cccc(CSc2[nH]c(=O)cc(C)c2C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ TSHR P16473 2/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ HPGD P15428 3/20 0.55
▸ LMNA P02545 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSD11B1 P28845 2/20 0.46

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
SCHEMBL26847198 0.85 KMT2A (0.45) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL26847205 0.84 KMT2A (0.43) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL20340021 0.84 ALDH1A1 (0.65) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL30761215 0.83 KMT2A (0.59) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL20339992 0.83 KMT2A (0.59) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL26847199 0.81 ACMSD (0.48) ALDH1A1TSHRKMT2AHPGDHSD17B10
SCHEMBL26404249 0.79 ALDH1A1 (0.47) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL20350857 0.77 ACMSD (0.56) ALDH1A1KMT2AHPGDMEN1ACMSD
SCHEMBL26404005 0.75 TSHR (0.55) ALDH1A1TSHRKMT2AHPGDLMNA
SCHEMBL12818167 0.74 ALDH1A1 (0.78) ALDH1A1TSHRKMT2AHPGDLMNA

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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 — — 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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885TSHR 4829/4885KMT2A 1353/4885

“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