SCHEMBL25554368

SCHEMBL25554368

CC(Cc1ccc(-n2ccc(N)nc2=O)cc1)NC[C@@H]1CCC[C@@H](N)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.41
▸ SIGMAR1 Q99720 1/20 0.37
▸ ACACB O00763 3/20 0.31
▸ HTT P42858 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL22254522 1.00 ROCK2 (0.41) ROCK2SIGMAR1ACACBHTTMCHR1
SCHEMBL22254556 0.91 SIGMAR1 (0.38) ROCK2SIGMAR1MCHR1
SCHEMBL25554389 0.91 SIGMAR1 (0.38) ROCK2SIGMAR1MCHR1
SCHEMBL22254523 0.91 SIGMAR1 (0.38) ROCK2SIGMAR1MCHR1
SCHEMBL22254557 0.83 SIGMAR1 (0.38) ROCK2SIGMAR1MCHR1
SCHEMBL25553254 0.82 ROCK2 (0.39) ROCK2
SCHEMBL25532059 0.82 ROCK2 (0.39) ROCK2
SCHEMBL22254215 0.82 ROCK2 (0.39) ROCK2
SCHEMBL22254222 0.81 ROCK2 (0.38) ROCK2
SCHEMBL25553265 0.81 ROCK2 (0.38) ROCK2

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-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

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 ROCK2 2850/4885SIGMAR1 1380/4885ACACB 2485/4885

“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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