SCHEMBL32688101

SCHEMBL32688101

Cc1c(-c2cccc(C3CC3)c2)c(C#N)c(S)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSS P25774 3/20 0.38
▸ CTSK P43235 3/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TAF1 P21675 1/20 0.33
▸ PDE9A O76083 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
SCHEMBL32687975 0.82 KDM4E (0.47) KDM4ERECQLTDP1GAAIDO1
SCHEMBL20339228 0.80 KDM4E (0.49) KDM4ERECQLTDP1GAAIDO1
SCHEMBL32688273 0.78 KDM4E (0.44) KDM4ERECQLTDP1CTSSCTSK
SCHEMBL32688295 0.74 CXCR2 (0.36) KDM4ECTSSCTSKNOTUMALDH1A1
SCHEMBL32688220 0.71 HSD17B2 (0.39) KDM4EGAAALDH1A1KMT2AATM
SCHEMBL32688430 0.70 PDE9A (0.50) KDM4ERECQLGAAIDO1TDO2
SCHEMBL20339898 0.66 PDE9A (0.49) KDM4EGAAIDO1ALDH1A1GLA
SCHEMBL32688155 0.66 IDO1 (0.49) KDM4EGAAIDO1TDO2ALDH1A1
SCHEMBL32688065 0.66 KDM4E (0.50) KDM4EGAAMAPK1ALDH1A1GLA
SCHEMBL26403858 0.65 KDM4E (0.52) KDM4ERECQLTDP1GAAALDH1A1

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 KDM4E 3207/4885RECQL 1365/4885TDP1 1571/4885

“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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