SCHEMBL6941446

SCHEMBL6941446

Cc1c(Cl)c(Nc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.61
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CACNA2D1 P54289 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL6947390 0.84 NOS2 (0.61) NOS2MAOAMAOBCACNA2D1LMNA
SCHEMBL6940392 0.84 NOS2 (0.61) NOS2MAOAMAOBLMNAGAA
SCHEMBL6941212 0.77 NOS2 (0.72) NOS2MAOAMAOBMAPTTSHR
SCHEMBL6937888 0.77 NOS2 (0.72) NOS2MAOAMAOBMAPTTSHR
SCHEMBL6937632 0.76 NOS2 (1.00) NOS2MAOAMAOBMAPTTSHR
SCHEMBL6940223 0.75 NOS2 (0.75) NOS2MAOAMAOBMAPTTSHR
SCHEMBL6942303 0.75 NOS2 (0.75) NOS2MAOAMAOBMAPTTSHR
SCHEMBL6945095 0.75 NOS2 (0.59) NOS2GAAMAPT
SCHEMBL6946779 0.74 NOS2 (0.61) NOS2MAOAMAOB
SCHEMBL6941331 0.74 NOS2 (0.73) NOS2MAPTTSHR

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
EP-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP disclosed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 NOS2 3/4885MAOA 14/4885MAOB 18/4885

“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.