SCHEMBL3577345

SCHEMBL3577345

CC(C)(C)c1ccc(CNC(=O)C(F)(F)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
EPHX2 P34913 11/20 0.55
NR1H4 Q96RI1 10/20 0.55
RIPK1 Q13546 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ESRRG P62508 1/20 0.50

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
SCHEMBL15257347 0.83 EPHX2 (0.59) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL5177664 0.83 EPHX2 (0.68) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL12993420 0.78 RAB9A (0.88) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL19898106 0.78 EPHX2 (0.59) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL4618832 0.77 EPHX2 (0.68) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL3278159 0.76 LMNA (0.68) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL3420620 0.76 EPHX2 (0.65) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL5175710 0.75 CA1 (0.69) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL7113776 0.75 RAB9A (1.00) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL19928752 0.75 CYP1A2 (0.49) LMNARAB9AEPHX2NR1H4HDAC6

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 6 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 claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US 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 LMNA 1337/4885RAB9A 1226/4885EPHX2 2882/4885

“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.