SCHEMBL25532012

SCHEMBL25532012

N[C@@H]1CCCN(Cc2ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.45
GAA P10253 1/20 0.35
FLT3 P36888 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34
ENPP2 Q13822 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
LDLR P01130 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 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
SCHEMBL22249097 1.00 ROCK2 (0.45) ROCK2GAAFLT3CCR2KCNH2
SCHEMBL22254540 1.00 ROCK2 (0.45) ROCK2GAAFLT3CCR2KCNH2
SCHEMBL22254544 0.97 ROCK2 (0.45) ROCK2GAAFLT3CCR2KCNH2
SCHEMBL22254545 0.95 ROCK2 (0.41) ROCK2KCNH2ENPP2
SCHEMBL25532018 0.95 ROCK2 (0.41) ROCK2KCNH2ENPP2
SCHEMBL22254546 0.95 ROCK2 (0.41) ROCK2KCNH2ENPP2
SCHEMBL22254465 0.92 ROCK2 (0.38) ROCK2FLT3CCR2KCNH2ENPP2
SCHEMBL22249137 0.92 ROCK2 (0.38) ROCK2FLT3CCR2KCNH2ENPP2
SCHEMBL22254537 0.92 ROCK2 (0.39) ROCK2ENPP2
SCHEMBL22248295 0.89 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 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 2850/4885GAA 173/4885FLT3 2827/4885

“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.