SCHEMBL6941331

SCHEMBL6941331

Cc1c(F)c(NCc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2)c1F

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 19/20 0.73
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6947141 0.85 NOS2 (0.80) NOS2
SCHEMBL6937632 0.85 NOS2 (1.00) NOS2MAPTTSHR
SCHEMBL6945095 0.82 NOS2 (0.59) NOS2ALDH1A1MAPTNPSR1
SCHEMBL6946181 0.82 NOS2 (0.58) NOS2
SCHEMBL6943599 0.78 NOS2 (0.85) NOS2ALDH1A1
SCHEMBL6942808 0.76 NOS2 (0.62) NOS2ALDH1A1HPGDTSHR
SCHEMBL6940354 0.76 NOS2 (0.81) NOS2ALDH1A1
SCHEMBL6946779 0.75 NOS2 (0.61) NOS2
SCHEMBL6941446 0.74 NOS2 (0.61) NOS2MAPTTSHR
SCHEMBL6946080 0.74 NOS2 (0.59) NOS2

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 10 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 claimed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US claimed
EP-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP claimed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 US claimed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 WO claimed
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
EP-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 US disclosed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 NOS2 3/4885KDM4E 1934/4885ALDH1A1 573/4885

“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.