SCHEMBL28523034

SCHEMBL28523034

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(NN(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.53
▸ POLB P06746 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MLNR O43193 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ TEAD1 P28347 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ ME2 P23368 1/20 0.47
▸ ME1 P48163 1/20 0.47
▸ ME3 Q16798 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45

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
SCHEMBL22605908 0.78 HRH3 (0.58) SIGMAR1MLNRTEAD1HRH3ME2
SCHEMBL22605993 0.78 SIGMAR1 (0.58) SIGMAR1POLBKCNH2ME2ME1
SCHEMBL22605589 0.76 MLNR (0.54) SIGMAR1POLBMLNRTEAD1HRH3
SCHEMBL22588174 0.75 MLNR (0.53) SIGMAR1POLBMLNRTEAD1HRH3
SCHEMBL31285937 0.75 MLNR (0.53) SIGMAR1POLBMLNRTEAD1HRH3
SCHEMBL22605905 0.75 SYK (0.56) SIGMAR1MLNRHRH3ME2ME1
SCHEMBL22605564 0.74 EPHX2 (0.56) SIGMAR1MLNRTEAD1HRH3ME2
SCHEMBL22588108 0.74 HRH3 (0.59) POLBL3MBTL1MLNRTEAD1HRH3
SCHEMBL22605639 0.74 HRH3 (0.62) L3MBTL1MLNRHRH3ME2ME1
SCHEMBL22587771 0.74 MLNR (0.52) SIGMAR1POLBL3MBTL1MLNRTEAD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 SIGMAR1 3267/4885POLB 4571/4885L3MBTL1 4524/4885

“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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