SCHEMBL6945142

SCHEMBL6945142

Cc1c(Cl)nc(Cl)nc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NOS2 P35228 5/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.39
MAOA P21397 1/20 0.39
TSHR P16473 2/20 0.38
PIK3CD O00329 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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 0.82 MEN1 (0.53) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6944186 0.78 MEN1 (0.50) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6943659 0.78 PDE5A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAOB
SCHEMBL6942398 0.76 NOS2 (0.51) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6941212 0.74 NOS2 (0.72) NOS2MAPK1MAOBMEN1KMT2A
SCHEMBL6937888 0.74 NOS2 (0.72) NOS2MAPK1MAOBMEN1KMT2A
SCHEMBL11379943 0.74 MAOB (0.50) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6946624 0.73 NOS2 (0.62) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6942370 0.73 NOS2 (0.56) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6165864 0.72 ALDH1A1 (0.78) NPC1RAB9ASMN1; SMN2LMNATP53

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 NPC1 1499/4885RAB9A 2017/4885SMN1; SMN2 3678/4885

“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.