SCHEMBL25532203

SCHEMBL25532203

CC(CN1CC[C@@H](CN)C1)c1ccc(-n2ccc(N)nc2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22254831 1.00 ROCK2 (0.38) ROCK2KMT2AALDH1A1KDM4EHPGD
SCHEMBL25554621 0.85 SIGMAR1 (0.38) ROCK2KMT2A
SCHEMBL25532191 0.85 SIGMAR1 (0.38) ROCK2KMT2A
SCHEMBL22248381 0.83 ROCK2 (0.35) ROCK2KMT2A
SCHEMBL25532087 0.82 ROCK2 (0.36) ROCK2KMT2AALDH1A1KDM4EHPGD
SCHEMBL22254221 0.82 ROCK2 (0.41) ROCK2KMT2AALDH1A1KDM4EHPGD
SCHEMBL22248960 0.81 ROCK2 (0.35) ROCK2KMT2A
SCHEMBL22254212 0.80 ROCK2 (0.44) ROCK2L3MBTL1
SCHEMBL22254218 0.80 ROCK2 (0.44) ROCK2L3MBTL1
SCHEMBL25532077 0.80 ROCK2 (0.44) ROCK2L3MBTL1

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-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
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 2850/4885KMT2A 4067/4885ALDH1A1 3752/4885

“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.