SCHEMBL3580598

SCHEMBL3580598

CC(C)Nc1ccccc1C(=O)NCc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 4/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
APEX1 P27695 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MMP8 P22894 1/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
MAPK14 Q16539 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
LSS P48449 1/20 0.43
HTT P42858 1/20 0.42
PPARA Q07869 2/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL3576770 0.86 MT-CO2 (0.49) MT-CO2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3572599 0.81 MT-CO2 (0.45) MT-CO2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3580095 0.79 HDAC6 (0.62) HPGDLMNARAB9AMAPK14LSS
SCHEMBL3571438 0.79 HPGD (0.64) KDM4EALDH1A1HPGDHSD17B10APEX1
SCHEMBL3576438 0.77 KDM4E (0.49) MT-CO2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3583284 0.76 MAPK14 (0.54) MT-CO2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3572594 0.74 ALDH1A1 (0.47) KDM4EALDH1A1HPGDAPEX1KMT2A
SCHEMBL3576350 0.73 KDM4C (0.47) ALDH1A1KMT2ALMNALSSHTT
SCHEMBL3586286 0.73 HDAC6 (0.53) MT-CO2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3582620 0.72 HDAC6 (0.55) KDM4EALDH1A1HPGDKMT2ALMNA

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC MT-CO2 858/4885KDM4E 1828/4885ALDH1A1 1414/4885

“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.