SCHEMBL3585694

SCHEMBL3585694

O=C(O)c1cc(C(F)(F)F)ccc1NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.64
LIPC P11150 2/20 0.64
KDM1A O60341 2/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK1 P53350 1/20 0.47
MPO P05164 3/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
DHODH Q02127 1/20 0.44
TAS2R14 Q9NYV8 2/20 0.44
HCAR3 P49019 1/20 0.43
GRIK1 P39086 1/20 0.43

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
SCHEMBL5113833 0.93 LIPC (0.60) LIPGLIPCKDM1AKDM4EALDH1A1
SCHEMBL3734919 0.83 LIPC (0.59) LIPGLIPCKDM1AKDM4EALDH1A1
SCHEMBL27969331 0.81 ALDH1A1 (0.51) LIPGLIPCKDM4EALDH1A1
SCHEMBL496065 0.81 ALDH1A1 (0.51) LIPGLIPCKDM1AKDM4EALDH1A1
SCHEMBL15638740 0.80 KEAP1 (0.47) ALDH1A1HPGDMPODHODHHCAR3
SCHEMBL5577029 0.79 LIPC (0.61) LIPGLIPCKDM1AKDM4EHSD17B10
SCHEMBL17627407 0.79 LIPC (0.60) LIPGLIPCKDM1AKDM4EALDH1A1
SCHEMBL30294571 0.78 KDM4E (0.48) LIPGLIPCKDM1AKDM4EALDH1A1
SCHEMBL22853502 0.78 KDM4E (0.48) LIPGLIPCKDM1AKDM4EALDH1A1
SCHEMBL3886168 0.78 EPHX2 (0.58) LIPGLIPCKDM1AKDM4EALDH1A1

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 5 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
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 LIPG 4728/4885LIPC 3039/4885KDM1A 1094/4885

“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.