SCHEMBL12205437

SCHEMBL12205437

COc1ccc(NC(=O)c2cccc(C)c2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.67
KCNK9 Q9NPC2 7/20 0.67
KCNH2 Q12809 1/20 0.66
KDM4E B2RXH2 3/20 0.64
MAPT P10636 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
RXFP1 Q9HBX9 1/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
TP53 P04637 2/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
PGR P06401 1/20 0.60
AR P10275 1/20 0.60
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
GPR17 Q13304 1/20 0.59
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL14363190 0.90 KCNK3 (0.68) KCNK3KCNK9KCNH2KDM4EMAPT
SCHEMBL28922759 0.87 RAB9A (0.66) KCNK3KCNK9KDM4EMAPTMEN1
SCHEMBL14301092 0.86 SMN1; SMN2 (0.75) KCNK3KCNK9KCNH2KDM4EMAPT
SCHEMBL15006333 0.84 KCNK3 (0.76) KCNK3KCNK9KCNH2KDM4EMAPT
SCHEMBL20083957 0.84 KCNK3 (0.64) KCNK3KCNK9KCNH2KDM4EMAPT
SCHEMBL4258402 0.84 KCNK3 (0.64) KCNK3KCNK9KCNH2KDM4EMAPT
SCHEMBL23677196 0.82 STAT3 (0.58) MEN1KMT2ANPC1RAB9APGR
SCHEMBL14363225 0.82 POLB (0.75) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL17831484 0.81 KCNK3 (0.71) KCNK3KCNK9KCNH2KDM4EMAPT
SCHEMBL4248125 0.81 KCNK3 (0.82) KCNK3KCNK9KCNH2KDM4EMAPT

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-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 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-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 KCNK3 1115/4885KCNK9 793/4885KCNH2 2983/4885

“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.