SCHEMBL32687966

SCHEMBL32687966

CN1CCN(c2ccccc2-c2cc(=O)[nH]c(SCc3nnn[nH]3)c2C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 5/20 0.33
▸ MAPT P10636 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ HSD11B1 P28845 3/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HSD11B2 P80365 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ PKM P14618 2/20 0.32

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
SCHEMBL32688425 0.84 KISS1R (0.39) BCL6ALDH1A1NPSR1
SCHEMBL32688199 0.79 HSD11B1 (0.36) ALDH1A1KMT2AHPGDLMNAMAPT
SCHEMBL32688018 0.78 OTUD7B (0.40) ALDH1A1KMT2AHPGDPIK3CDPIK3CA
SCHEMBL32688192 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AHPGDLMNAMAPT
SCHEMBL32688226 0.76 ALDH1A1 (0.39) ALDH1A1KMT2AHPGDLMNAMAPT
SCHEMBL32688472 0.76 GRK6 (0.36) ALDH1A1KMT2AHPGDLMNANPSR1
SCHEMBL32687986 0.76 KMT2A (0.39) ALDH1A1KMT2AHPGDLMNAHSD11B1
SCHEMBL32688310 0.75 GRK6 (0.37) BCL6ALDH1A1KMT2AHPGDLMNA
SCHEMBL32688163 0.75 KISS1R (0.39) HTTHTR1AHTR6
SCHEMBL32687994 0.74 KDM4E (0.45) BCL6ALDH1A1KMT2AHPGDLMNA

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 BCL6 1219/4885ALDH1A1 290/4885KMT2A 3400/4885

“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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