SCHEMBL5214846

SCHEMBL5214846

Nc1cc(C(F)(F)F)ccc1NC(=O)c1csc(Nc2ncccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
HDAC3 O15379 2/20 0.43
TLR7 Q9NYK1 2/20 0.41
MAPK1 P28482 3/20 0.40
IDE P14735 1/20 0.40
MAPK10 P53779 1/20 0.40
PTGES O14684 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
GRM4 Q14833 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM1A O60341 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL5216059 0.93 NPSR1 (0.44) NPSR1HDAC3TLR7MAPK1IDE
SCHEMBL5214488 0.88 NPSR1 (0.47) NPSR1HDAC3TLR7MAPK1IDE
SCHEMBL14422262 0.84 MAPK1 (0.55) TLR7MAPK1IDEMAPK10GRM4
SCHEMBL5221816 0.82 POLB (0.44) NPSR1HDAC3MAPK1IDEMAPK10
SCHEMBL5220837 0.80 NPSR1 (0.47) NPSR1TLR7MAPK1IDEMAPK10
SCHEMBL30416650 0.77 HDAC3 (0.63) HDAC3TLR7GRM4NPC1RAB9A
SCHEMBL5215524 0.74 POLB (0.44) NPSR1TLR7MAPK1IDEMAPK10
SCHEMBL5215470 0.74 RAB9A (0.50) NPSR1NPC1RAB9AKDM1AMAPT
SCHEMBL14422263 0.73 MEN1 (0.52) NPSR1HDAC3GRM4NPC1RAB9A
SCHEMBL14422233 0.73 MAPK1 (0.55) TLR7MAPK1IDEMAPK10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1603905-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-12-14 EP disclosed
WO-2004072068-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-08-26 WO disclosed
US-20040157845-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-12 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-20040157845-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 NPSR1 338/4885HDAC3 1596/4885TLR7 743/4885

“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.