SCHEMBL3577225

SCHEMBL3577225

FC(F)(F)c1cccc(CCNCc2ccc(C3CCCC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.53
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ROCK1 Q13464 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
DPP7 Q9UHL4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
IDE P14735 1/20 0.42
PAX8 Q06710 1/20 0.42
EPHX1 P07099 1/20 0.42
CNR1 P21554 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 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
SCHEMBL3573470 0.98 PARP1 (0.55) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL3569059 0.95 KDM4E (0.52) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL9958090 0.81 EPHX1 (0.40) EPHX1
Hydrochloric Acid SCHEMBL11847984 0.80 MEN1 (0.62) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL5176919 0.80 LMNA (0.46) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL12521795 0.80 SCN9A (0.46) KDM4EKMT2AMEN1SCN8ACNR1
SCHEMBL5177616 0.80 KDM4E (0.44) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL5175727 0.80 KDM4E (0.54) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL9957537 0.79 KDM4E (0.59) PARP1KDM4ETDP1ROCK1KMT2A
SCHEMBL9958168 0.79 KDM4E (0.59) PARP1KDM4ETDP1ROCK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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 (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 PARP1 797/4885KDM4E 1828/4885TDP1 3535/4885

“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.