SCHEMBL32687987

SCHEMBL32687987

COc1nc(Cl)nc(N(C)Cc2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ FABP4 P15090 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PYCR1 P32322 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ NR1D1 P20393 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PKM P14618 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
SCHEMBL32688111 0.88 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL8349147 0.71 LOXL2 (0.46) ALDH1A1SMN1; SMN2RAB9AMAPK1NPC1
SCHEMBL8506679 0.71 ESR1 (0.39) ALDH1A1SMN1; SMN2HTTMAPK1KDM4E
SCHEMBL4220817 0.68 TSHR (0.43) ALDH1A1FABP4SMN1; SMN2PYCR1LMNA
SCHEMBL32688167 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTRAB9AMAPK1
SCHEMBL6337118 0.68 AOC3 (0.46) —
SCHEMBL9402366 0.67 GLA (0.42) ALDH1A1PIK3CASMN1; SMN2LMNAHTT
SCHEMBL29336627 0.67 BCL2A1 (0.56) ALDH1A1SMN1; SMN2PYCR1HTT
SCHEMBL795874 0.67 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNARAB9ATSHR
SCHEMBL32688122 0.66 FABP4 (0.46) ALDH1A1FABP4PYCR1LMNAHTT

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 ALDH1A1 290/4885FABP4 2611/4885PIK3CA 3678/4885

“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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