SCHEMBL1142200

SCHEMBL1142200

CC(C)(C)OC(=O)N1CCCC(COc2cc(F)cc(F)c2C#N)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.59
ALOX5AP P20292 3/20 0.46
FEN1 P39748 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CHEK2 O96017 1/20 0.44
GPR119 Q8TDV5 2/20 0.42
RBP4 P02753 1/20 0.41
KAT7 O95251 2/20 0.41
KAT8 Q9H7Z6 1/20 0.41
BACE1 P56817 2/20 0.40
ACKR3 P25106 1/20 0.40
CTSD P07339 1/20 0.40
HTR6 P50406 2/20 0.39
KAT6A Q92794 1/20 0.39
GLS O94925 1/20 0.39
BCHE P06276 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12758505 1.00 SCN9A (0.59) SCN9AALOX5APFEN1MEN1ALDH1A1
SCHEMBL14022204 1.00 SCN9A (0.59) SCN9AALOX5APFEN1MEN1ALDH1A1
SCHEMBL12758503 0.94 SCN9A (0.51) SCN9AALOX5APFEN1GPR119RBP4
SCHEMBL1142586 0.94 SCN9A (0.51) SCN9AALOX5APFEN1GPR119RBP4
SCHEMBL1142219 0.90 SCN9A (0.46) SCN9AALOX5APFEN1GPR119RBP4
SCHEMBL13906271 0.83 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2GPR119
SCHEMBL1111331 0.83 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2GPR119
SCHEMBL1142786 0.82 EPHA2 (0.47) SCN9AGPR119
SCHEMBL12758506 0.82 EPHA2 (0.47) SCN9AGPR119
SCHEMBL3325111 0.80 SCN9A (0.58) SCN9AALOX5APFEN1CHEK2RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-24 US disclosed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2009-03-26 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 (3 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-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY MKI67, CDK4, VHL SCN9A 4716/4885ALOX5AP 2059/4885FEN1 2225/4885
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES CCNB3, VEGFA, CCND2 SCN9A 3613/4885ALOX5AP 2290/4885FEN1 3318/4885
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity MKI67, CDK4, VHL SCN9A 4716/4885ALOX5AP 2059/4885FEN1 2225/4885

“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.