SCHEMBL22233606

SCHEMBL22233606

Nc1ccn(-c2ccc(CC(=O)N3CCC(NC(=O)O)CC3)cc2)c(=O)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ ROCK2 O75116 3/20 0.41
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ ME3 Q16798 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL22255411 0.86 PARP1 (0.41) ALDH1A1ROCK2HTTSMN1; SMN2L3MBTL1
SCHEMBL22233627 0.85 ROCK2 (0.49) ROCK2SMN1; SMN2L3MBTL1SIGMAR1LMNA
SCHEMBL22233326 0.84 SIGMAR1 (0.47) ROCK2L3MBTL1SIGMAR1NOS3NOS1
SCHEMBL22233893 0.82 ROCK2 (0.51) ROCK2MEN1KMT2AJAK2JAK1
SCHEMBL22233582 0.81 ROCK2 (0.39) ROCK2SIGMAR1ME3
SCHEMBL22234122 0.81 ROCK2 (0.49) ROCK2L3MBTL1SIGMAR1NOS3NOS1
SCHEMBL22234118 0.79 EPHX2 (0.36) ALDH1A1PKMHTTSMN1; SMN2MEN1
SCHEMBL22233148 0.77 ROCK2 (0.37) ALDH1A1ROCK2
SCHEMBL23573463 0.75 L3MBTL1 (0.66) ALDH1A1L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL23573298 0.74 PKM (0.63) ALDH1A1PKMHTTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
EP-3911644-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 — — EP disclosed
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 ALDH1A1 3752/4885ROCK2 2850/4885PKM 4402/4885

“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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