SCHEMBL4840568

SCHEMBL4840568

COC[C@H](C)Nc1nccc(N(C(=O)Nc2cccc(Cl)c2)c2ccc(N(C)C)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.62
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
KDR P35968 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 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
SCHEMBL4840563 1.00 MAPK14 (0.62) MAPK14SMN1; SMN2MAPTLMNATSHR
SCHEMBL4836095 0.93 MAPK14 (0.69) MAPK14SMN1; SMN2MAPTTHRB
SCHEMBL4836088 0.93 MAPK14 (0.69) MAPK14SMN1; SMN2MAPTTHRB
SCHEMBL4836196 0.92 MAPK14 (0.62) MAPK14SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4836202 0.92 MAPK14 (0.62) MAPK14SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4838184 0.92 MAPK14 (0.73) MAPK14SMN1; SMN2
SCHEMBL4838172 0.92 MAPK14 (0.73) MAPK14SMN1; SMN2
SCHEMBL4837837 0.84 MAPK14 (0.62) MAPK14SMN1; SMN2MAPTLMNATSHR
SCHEMBL4835782 0.84 MAPK14 (0.74) MAPK14SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4835793 0.84 MAPK14 (0.74) MAPK14SMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed

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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 MAPK14 2674/4885SMN1; SMN2 4628/4885MAPT 843/4885

“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.