SCHEMBL6941366

SCHEMBL6941366

CCc1cc(CC)c(Oc2ccc3c(c2)OCO3)nc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 1/20 0.49
NOS2 P35228 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.40
MAOB P27338 4/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 1/20 0.39
CHEK2 O96017 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6946624 0.77 NOS2 (0.62) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL6946813 0.76 NPC1 (0.49) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL6940311 0.75 NOS2 (0.73) NOS2ALDH1A1MAPK1MAOB
SCHEMBL6947469 0.75 RAB9A (0.50) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL6944250 0.74 SMN1; SMN2 (0.49) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL6942398 0.72 NOS2 (0.51) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL11990102 0.71 MAPK1 (0.48) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6165864 0.71 ALDH1A1 (0.78) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL6946833 0.70 ALDH1A1 (0.47) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL6939923 0.70 MEN1 (0.45) LMNASMN1; SMN2NPC1RAB9ANOS2

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 LMNA 2000/4885SMN1; SMN2 3678/4885NPC1 1499/4885

“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.