SCHEMBL25994253

SCHEMBL25994253

C=CSN[C@@H]1CCCN(C(=O)c2cc3cc(OC(C)(F)F)c(F)cc3[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HRH4 Q9H3N8 6/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ AKR1C3 P42330 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL23389179 0.80 KMT2A (0.44) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL29943265 0.80 KMT2A (0.44) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL23389182 0.80 KMT2A (0.44) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL23389232 0.79 KMT2A (0.46) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL23389233 0.79 KMT2A (0.46) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL29944026 0.75 KMT2A (0.47) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL23389212 0.75 KMT2A (0.47) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL23389209 0.75 KMT2A (0.47) KMT2AMEN1HRH4MAPTHRH3
SCHEMBL25991354 0.72 HRH4 (0.51) KMT2AMEN1HRH4HRH3AKR1C3
SCHEMBL25994295 0.71 KMT2A (0.41) KMT2AMEN1HRH4MAPTHRH3

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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 KMT2A 4587/4885MEN1 4223/4885HRH4 4568/4885

“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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