SCHEMBL6944274

SCHEMBL6944274

NC(=O)Cc1ccc(Oc2ccc3c(c2)OCO3)nc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CHEK2 O96017 1/20 0.41
FPR2 P25090 2/20 0.41
SCN9A Q15858 2/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NOS2 P35228 1/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KCNH2 Q12809 1/20 0.40
GHSR Q92847 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
SCHEMBL6939923 0.86 MEN1 (0.45) MAPK8MAPK10ALDH1A1FPR2SCN9A
SCHEMBL6942061 0.83 MAPK8 (0.50) MAPK8MAPK10MAPK1ALDH1A1CHEK2
SCHEMBL6939995 0.81 F10 (0.48) MAPK8MAPK10MAPK1ALDH1A1CHEK2
SCHEMBL6945757 0.81 MAPK8 (0.48) MAPK8MAPK10MAPK1ALDH1A1CHEK2
SCHEMBL6945034 0.79 F10 (0.49) MAPK8MAPK10FPR2SCN9ARAB9A
SCHEMBL6941680 0.78 RAB9A (0.47) MAPK8MAPK10MAPK1ALDH1A1FPR2
SCHEMBL6946833 0.76 ALDH1A1 (0.47) MAPK1ALDH1A1RAB9ANPC1NOS2
SCHEMBL6945503 0.75 NOS2 (0.66) NOS2
SCHEMBL6947314 0.73 NOS2 (0.41) MAPK8MAPK10MAPK1ALDH1A1FPR2
SCHEMBL108699 0.71 NOS2 (0.66) MAPK1ALDH1A1RAB9ANPC1NOS2

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 5 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
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 MAPK8 2698/4885MAPK10 2584/4885MAPK1 1452/4885

“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.