SCHEMBL3244176

SCHEMBL3244176

CC(C)(C)c1ccc(CNCCc2ccnc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
NR1I3 Q14994 1/20 0.43
ROCK1 Q13464 4/20 0.42
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PLK1 P53350 1/20 0.40
CNR1 P21554 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3243483 0.80 NR1I3 (0.56) CA1CA2NR1I3ROCK1CNR1
SCHEMBL5175291 0.80 CA1 (0.61) CA1CA2ALDH1A1KDM4EGLA
Hydrochloric Acid SCHEMBL3950184 0.79 CYP1A2 (0.58) CA1CA2NR1I3ROCK1CNR1
SCHEMBL20902780 0.79 CA1 (0.71) CA1CA2CNR1ANPEPERAP2
SCHEMBL12521113 0.79 CA1 (0.56) CA1CA2NR1I3CNR1ANPEP
SCHEMBL3244925 0.78 CA1 (0.62) CA1CA2ALDH1A1KDM4ECNR1
SCHEMBL3571060 0.78 HDAC1 (0.62) CA1CA2CNR1HDAC1GAA
SCHEMBL3276787 0.77 CA1 (0.51) CA1CA2NR1I3CNR1KMT2A
SCHEMBL3231014 0.77 CA1 (0.54) CA1CA2NR1I3CNR1HDAC1
SCHEMBL3947879 0.77 CA1 (0.51) CA1CA2NR1I3CNR1CYP1A2

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 11 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-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP 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
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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 (2 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 CA1 4780/4885CA2 3882/4885ALDH1A1 986/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC CA1 1280/4885CA2 411/4885ALDH1A1 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.