SCHEMBL23183522

SCHEMBL23183522

CSc1[nH]c(=O)cc(CC2CCCCC2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ HSD11B1 P28845 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ RAPGEF4 Q8WZA2 5/20 0.34
▸ DAO P14920 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL20351047 0.80 KDM4E (0.48) JAK2JAK1TYK2JAK3HSD11B1
SCHEMBL23183456 0.75 JAK2 (0.40) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL23183409 0.66 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL20350859 0.66 ALDH1A1 (0.51) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL23183455 0.64 ATM (0.54) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL20351058 0.63 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL10654782 0.62 KDM6B (0.46) JAK2JAK1TYK2JAK3LMNA
SCHEMBL4896857 0.61 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHTTTP53
SCHEMBL20339831 0.61 KDM4E (0.51) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL23183523 0.60 KDM4E (0.58) ALDH1A1TSHRLMNAHSD17B10HPGD

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-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ORSOBIO, INC. 2021-04-01 — — 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-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ALDH7A1, OTC, DDC JAK2 3351/4885JAK1 3692/4885TYK2 2445/4885

“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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