SCHEMBL2030581

SCHEMBL2030581

Cc1cc(C(=O)Nc2ccc(Cl)cc2OC(F)(F)F)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 1/20 0.43
RBP4 P02753 1/20 0.43
NR3C2 P08235 2/20 0.43
GRM5 P41594 1/20 0.42
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RY1 P47900 1/20 0.41
TMPRSS4 Q9NRS4 2/20 0.40

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
SCHEMBL1380895 0.89 P2RY1 (0.47) MAPTRAB9ATP53SMN1; SMN2CNR2
SCHEMBL1381100 0.88 KDM4E (0.51) KDM4EMAPTMAPK1NPSR1RAB9A
SCHEMBL1382048 0.87 KDM4E (0.53) KDM4EMAPTMAPK1NPSR1RAB9A
SCHEMBL1383053 0.86 SCN9A (0.51) KDM4EMAPTMAPK1NPSR1RAB9A
SCHEMBL1381902 0.86 RBP4 (0.59) KDM4EMAPK1SMN1; SMN2RBP4ALDH1A1
SCHEMBL1379902 0.85 MAPT (0.48) KDM4EMAPTMAPK1NPSR1RAB9A
SCHEMBL1381223 0.85 MAPT (0.49) KDM4EMAPTMAPK1NPSR1RAB9A
SCHEMBL1384317 0.85 KDM4E (0.50) KDM4EMAPTMAPK1NPSR1RAB9A
SCHEMBL1382127 0.84 KCNMA1 (0.54) KDM4EMAPTMAPK1NPSR1RAB9A
SCHEMBL1381612 0.83 TP53 (0.54) KDM4EMAPTMAPK1NPSR1TP53

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-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 KDM4E 1281/4885MAPT 4352/4885MAPK1 3454/4885

“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.