SCHEMBL25393922

SCHEMBL25393922

O=C(O)N1CCN(c2ccc(Br)c(C(F)F)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ KDM4E B2RXH2 7/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAP4K4 O95819 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ME2 P23368 1/20 0.34
▸ ME1 P48163 1/20 0.34
▸ ME3 Q16798 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 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
SCHEMBL30456054 0.89 USP2 (0.39) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL30480339 0.81 MAP4K4 (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL25248226 0.81 MAP4K4 (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4574031 0.75 OGA (0.47) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29024380 0.73 — —
SCHEMBL25275503 0.72 GPR119 (0.44) MAP4K4CKS1BSKP1SKP2
SCHEMBL25407146 0.72 GPR119 (0.45) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL30338079 0.72 GPR119 (0.45) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL440473 0.72 GRIN2D (0.48) ALDH1A1MAPK1MEN1KMT2ATRPV1
SCHEMBL25394708 0.71 BRD4 (0.39) —

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-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 — — 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-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE PNPO, PDXK, C5 AKR1C3 35/4885ALDH1A1 380/4885LMNA 2330/4885

“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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