SCHEMBL22254136

SCHEMBL22254136

NCCC1CN(Cc2ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
POLB P06746 1/20 0.34
FAAH O00519 13/20 0.33
ENPP2 Q13822 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL22254145 0.93 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22254537 0.89 ROCK2 (0.39) ROCK2POLBFAAHENPP2CA12
SCHEMBL25532024 0.89 ROCK2 (0.40) ROCK2POLBENPP2
SCHEMBL25553050 0.89 ROCK2 (0.40) ROCK2POLBENPP2
SCHEMBL22254547 0.89 ROCK2 (0.40) ROCK2POLBENPP2
SCHEMBL22249108 0.88 ROCK2 (0.37) ROCK2POLBFAAHENPP2CA12
SCHEMBL22249105 0.88 ROCK2 (0.37) ROCK2POLBFAAHENPP2CA12
SCHEMBL22235671 0.88 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22248311 0.88 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12
SCHEMBL22248341 0.88 ROCK2 (0.38) ROCK2POLBFAAHENPP2CA12

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
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
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 ROCK2 2850/4885POLB 108/4885FAAH 2984/4885

“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.