SCHEMBL26404316

SCHEMBL26404316

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ CXCR2 P25025 5/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.35
▸ GFER P55789 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ UPP1 Q16831 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL26404305 0.86 ALDH1A1 (0.46) ALDH1A1CXCR2TSHRHTTKDM4E
SCHEMBL26403952 0.81 KDM4E (0.54) ALDH1A1CXCR2TSHRHTTKDM4E
SCHEMBL20339960 0.79 KDM4E (0.38) ALDH1A1CXCR2HTTKDM4EHPGD
SCHEMBL20340026 0.78 ALDH1A1 (0.40) ALDH1A1CXCR2TSHRKDM4EGFER
SCHEMBL26404299 0.78 MAPT (0.51) ALDH1A1TSHRHTTKDM4EHPGD
SCHEMBL26404313 0.75 CXCR2 (0.36) ALDH1A1CXCR2TSHRHTTKDM4E
SCHEMBL12818167 0.74 ALDH1A1 (0.78) ALDH1A1TSHRHTTKDM4EHPGD
SCHEMBL26403945 0.70 KDM4E (0.47) ALDH1A1CXCR2KDM4EATMHPGD
SCHEMBL20339496 0.68 KDM4E (0.70) ALDH1A1TSHRHTTKDM4EATM
SCHEMBL4896857 0.67 ALDH1A1 (0.52) ALDH1A1TSHRHTTKDM4EHPGD

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 370/4885CXCR2 4197/4885TSHR 4389/4885

“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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