SCHEMBL21152899

SCHEMBL21152899

CC(C)c1nnn2c1CCC2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23961043 0.94 ALDH1A1 (0.37) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL21152172 0.72
SCHEMBL23921819 0.72
SCHEMBL24174162 0.72 HTT (0.33) MEN1ALDH1A1KMT2A
SCHEMBL24174828 0.68 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL21153006 0.68 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL23137828 0.68 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL24174163 0.67 HTT (0.35) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL23961080 0.67 MEN1 (0.41) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL15912316 0.65 KDM5B (0.34) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 WO 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 MEN1 2899/4885ALDH1A1 776/4885MAPT 1214/4885

“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.