SCHEMBL6942370

SCHEMBL6942370

Cc1cnc(Oc2ccc3c(c2)OCO3)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.56
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAOB P27338 5/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PIK3CD O00329 1/20 0.42
MAOA P21397 1/20 0.41
MAPT P10636 1/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL6939958 0.85 MEN1 (0.53) NOS2KMT2AMEN1MAOBALDH1A1
SCHEMBL6944186 0.81 MEN1 (0.50) NOS2KMT2AMEN1MAOBALDH1A1
SCHEMBL6947003 0.78 NOS2 (0.54) NOS2KMT2AMEN1MAOBALDH1A1
SCHEMBL22162810 0.77 MEN1 (0.64) NOS2KMT2AMEN1MAOBALDH1A1
SCHEMBL6944845 0.77 NOS2 (0.54) NOS2KMT2AMEN1MAOBALDH1A1
SCHEMBL6945142 0.73 NPC1 (0.47) NOS2KMT2AMEN1MAOBALDH1A1
SCHEMBL6943483 0.73 NOS2 (1.00) NOS2MAOBALDH1A1MAPK1MAOA
SCHEMBL7304296 0.73 MAPK1 (0.51) NOS2KMT2AMEN1MAOBALDH1A1
SCHEMBL6165864 0.72 ALDH1A1 (0.78) KMT2AMEN1MAOBALDH1A1MAPK1
SCHEMBL11379943 0.71 MAOB (0.50) NOS2KMT2AMEN1MAOBALDH1A1

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 NOS2 3/4885KMT2A 2660/4885MEN1 3177/4885

“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.