SCHEMBL14928804

SCHEMBL14928804

CCc1cc(C)c(C(=N)NO)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
NLRP1 Q9C000 1/20 0.32
SCN9A Q15858 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31
TSHR P16473 1/20 0.31
HSP90AA1 P07900 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30

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
SCHEMBL14932641 0.82
SCHEMBL14913681 0.82 PDGFRB (0.44) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL14191477 0.71 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1739398 0.70 GABRA1 (0.36) GAA
SCHEMBL12811480 0.69 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14928646 0.69 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4586875 0.68 FLT1 (0.44) HDAC8HDAC1HDAC6GAA
SCHEMBL20831035 0.68 ALDH1A1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL874279 0.68 HDAC1 (0.42) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL3342637 0.67 HPGD (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-09 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-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS PAK2, PAK3, PAK1 GRIN2D 3215/4885GRIN3B 3002/4885GRIN1 2260/4885

“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.