SCHEMBL4848335

SCHEMBL4848335

Nc1cnc2ccc[c]c2n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.32
NOS2 P35228 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MET P08581 1/20 0.32
GPR3 P46089 1/20 0.31
PDPK1 O15530 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL4843376 0.85 BACE1 (0.36) NCF1NOS2BACE1KDM4EALDH1A1
SCHEMBL7271710 0.77 CYP1A2 (0.37) KDM4EALDH1A1HPGDGPR3NPC1
SCHEMBL7974002 0.77 ALDH1A1 (0.37) KDM4EALDH1A1GPR3NPC1RAB9A
SCHEMBL3569692 0.73 HTT (0.41) KDM4EALDH1A1MAPTHPGDPDPK1
SCHEMBL29447182 0.70 ALDH1A1 (0.52) NCF1NOS2BACE1KDM4EALDH1A1
SCHEMBL462847 0.70 ALDH1A1 (0.52) NCF1NOS2BACE1KDM4EALDH1A1
SCHEMBL27999697 0.70 ALDH1A1 (0.52) NCF1NOS2BACE1KDM4EALDH1A1
SCHEMBL3282411 0.69 NCF1 (0.45) NCF1NOS2BACE1
Bromide SCHEMBL7244276 0.69 ALDH1A1 (0.50) NCF1NOS2BACE1KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL22288229 0.69 ALDH1A1 (0.50) NCF1NOS2BACE1KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 US 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-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NCF1 2882/4885NOS2 754/4885BACE1 1242/4885

“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.