SCHEMBL3189240

SCHEMBL3189240

Cc1cccc(C(=O)CC(C)C)c1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F2R P25116 1/20 0.43
CD44 P16070 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MYC P01106 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
GRM2 Q14416 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL28756376 0.83 KDM4E (0.46) KDM4EHIF1ATDP1ALDH1A1HPGD
SCHEMBL14255774 0.83 KDM4E (0.67) KDM4EHIF1ATDP1ALDH1A1HPGD
SCHEMBL27648478 0.82 F2R (0.46) KDM4EHIF1ATDP1F2RCYP2C9
SCHEMBL13647199 0.82 ERCC5 (0.55) F2RALDH1A1HPGDERCC5FEN1
SCHEMBL7547028 0.80 CD44 (0.43) KDM4EHIF1ATDP1CD44CYP2D6
SCHEMBL7547154 0.79 CD44 (0.42) KDM4EHIF1ATDP1CD44CYP2D6
SCHEMBL16168319 0.78 KDM4E (0.44) KDM4ETDP1F2RCYP2C9MYC
SCHEMBL27608737 0.77 ERCC5 (0.46) KDM4EHIF1ATDP1CD44CYP2D6
SCHEMBL9116089 0.77 F2R (0.42) TDP1F2RCD44ALDH1A1HPGD
SCHEMBL1260279 0.77 ALDH1A1 (0.49) KDM4EHIF1ATDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674936-B2 Ortho-substituted aryl amides for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-09 US disclosed
EP-1423379-B1 ORTHO-SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2008-05-28 EP disclosed
US-7288554-B2 Ortho-substituted aryl amides for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-30 US disclosed
US-20070249832-A1 Ortho-substituted aryl amides for controlling invertebrate pests FMC CORPORATION 2007-10-25 US disclosed
US-20040192731-A1 Ortho-substituted aryl amides for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO 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 (4 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-20040192731-A1 Ortho-substituted aryl amides for controlling invertebrate pests DDT, ACHE, CBR1 KDM4E 1228/4885HIF1A 4503/4885TDP1 2975/4885
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 KDM4E 1350/4885HIF1A 1240/4885TDP1 4401/4885
US-20070249832-A1 Ortho-substituted aryl amides for controlling invertebrate pests NR2C2, GRK6, NR0B2 KDM4E 2842/4885HIF1A 4420/4885TDP1 4686/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 KDM4E 1350/4885HIF1A 1240/4885TDP1 4401/4885

“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.