SCHEMBL32687993

SCHEMBL32687993

COc1nc(Cl)nc(OC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6051489 0.91 GAA (0.36) ALDH1A1GAATDP1
SCHEMBL14804671 0.89 ALDH1A1 (0.38) CYP1A2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL21318822 0.89 ALDH1A1 (0.38) CYP1A2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1968887 0.86 ALDH1A1 (0.42) ALDH1A1GAATDP1
SCHEMBL8795 0.83 CYP1A2 (0.52) CYP1A2ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL11489562 0.83 CYP1A2 (0.39) CYP1A2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL329417 0.78 CYP1A2 (0.52) CYP1A2ALDH1A1SMN1; SMN2GAATDP1
SCHEMBL2029438 0.78 TP53 (0.33)
SCHEMBL11779604 0.77 GAA (0.30) GAATDP1
SCHEMBL8634269 0.77 HSP90AA1 (0.46) GAATDP1

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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK CYP1A2 959/4885ALDH1A1 290/4885SMN1; SMN2 281/4885

“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.