SCHEMBL6326432

SCHEMBL6326432

COC(=O)c1cc(CNCC2CCNCC2)cc(-c2cccc(/C(N)=N\O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.41
ROCK2 O75116 1/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
EP300 Q09472 1/20 0.35
FFAR2 O15552 1/20 0.35
TYRO3 Q06418 1/20 0.35
ERN1 O75460 4/20 0.35
CHRM1 P11229 3/20 0.35
KDM1A O60341 1/20 0.35
ST14 Q9Y5Y6 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL6326438 1.00 CHRM3 (0.41) CHRM3ROCK2PRMT5WDR77LOXL2
SCHEMBL6130341 0.89 CHRM3 (0.42) CHRM3ROCK2PRMT5WDR77LOXL2
Hydrochloric Acid SCHEMBL6316344 0.88 CHRM3 (0.42) CHRM3ROCK2PRMT5WDR77LOXL2
SCHEMBL6319178 0.83 CHRM3 (0.42) CHRM3ROCK2PRMT5WDR77KDM1A
SCHEMBL6316361 0.83 KDM4E (0.47) KDM1AST14
SCHEMBL6316359 0.83 KDM4E (0.47) KDM1AST14
SCHEMBL6130337 0.75 F10 (0.51) ST14
SCHEMBL7063308 0.75 CHRM3 (0.40) CHRM3ROCK2LOXL2ST14
SCHEMBL6817718 0.73 F10 (0.46) ROCK2KDM1A
SCHEMBL6832947 0.72 CHRM3 (0.44) CHRM3ROCK2PRMT5WDR77

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-20050101675-A1 Benzamidine derivatives and process for production thereof TEIJIN LIMITED (JP) 2005-05-12 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-20050101675-A1 Benzamidine derivatives and process for production thereof AOC2, TALDO1, AOC1 CHRM3 673/4885ROCK2 3243/4885PRMT5 500/4885

“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.