SCHEMBL6947003

SCHEMBL6947003

Clc1ccnc(Oc2ccc3c(c2)OCO3)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 6/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
BRD4 O60885 1/20 0.43
MAPK14 Q16539 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 2/20 0.43
SYK P43405 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL22162810 0.80 MEN1 (0.64) NOS2MEN1KMT2AMAOBALDH1A1
SCHEMBL6944845 0.79 NOS2 (0.54) NOS2MEN1KMT2AMAOBALDH1A1
SCHEMBL6942370 0.78 NOS2 (0.56) NOS2MEN1KMT2AMAOBALDH1A1
SCHEMBL6939958 0.75 MEN1 (0.53) NOS2MEN1KMT2AMAOBALDH1A1
SCHEMBL5619718 0.74 ALDH1A1 (0.48) NOS2MEN1KMT2AMAOBALDH1A1
SCHEMBL6165864 0.74 ALDH1A1 (0.78) MEN1KMT2AMAOBALDH1A1MAPK1
SCHEMBL11379943 0.74 MAOB (0.50) NOS2MEN1KMT2AMAOBALDH1A1
SCHEMBL1414939 0.73 SCN9A (0.67) MEN1KMT2AMAOBLMNANPC1
SCHEMBL6944186 0.72 MEN1 (0.50) NOS2MEN1KMT2AMAOBALDH1A1
SCHEMBL5111507 0.72 SCN9A (0.44) MEN1KMT2ALMNARAB9AGAA

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 3/4885MEN1 3177/4885KMT2A 2660/4885

“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.