SCHEMBL31565830

SCHEMBL31565830

CNC(=O)NCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SCN9A Q15858 3/20 0.42
▸ GHSR Q92847 1/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ LIPE Q05469 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL31566040 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1SCN9AGHSRESR1
SCHEMBL31566054 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1SCN9AGHSRESR1
SCHEMBL31566066 0.87 GHSR (0.49) ALDH1A1L3MBTL1SCN9AGHSRESR1
SCHEMBL31565905 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1SCN9AGHSRESR1
SCHEMBL31565927 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1SCN9AGHSRESR1
SCHEMBL31565916 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1SCN9AGHSRESR1
SCHEMBL31565855 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1SCN9AGHSRESR1
SCHEMBL31566016 0.84 ESR1 (0.47) SCN9AGHSRESR1ESR2HRH3
SCHEMBL31565889 0.84 ESR1 (0.47) ALDH1A1L3MBTL1GHSRESR1ESR2
SCHEMBL31566079 0.84 KDM4E (0.44) ALDH1A1L3MBTL1GHSRESR1ESR2

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-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-04-24 — — 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-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 ALDH1A1 2760/4885L3MBTL1 1076/4885SCN9A 1683/4885

“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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