SCHEMBL3584072

SCHEMBL3584072

CNc1c(F)cc(Cl)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CYP3A4 P08684 1/20 0.42
DHODH Q02127 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KDM4E B2RXH2 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP14 P50281 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACLY P53396 4/20 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
SCHEMBL3576620 0.83 KDM4E (0.53) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL28794509 0.81 AKR1C4 (0.55) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL15313171 0.80 ACLY (0.42) ALDH1A1HPGDAKR1C4AKR1C3AKR1C2
SCHEMBL4314430 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL29344273 0.79 CYP3A4 (0.43) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL27995398 0.78 TSHR (0.35) ALDH1A1HPGD
SCHEMBL3573157 0.78 CA12 (0.42) HPGDKDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL18765695 0.76 AKR1C4 (0.47) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL31592715 0.76 AKR1C4 (0.47) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL21381356 0.73 ACLY (0.42) ALDH1A1DHODHTP53ACLY

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 ALDH1A1 1414/4885HSD17B10 2275/4885HPGD 1361/4885

“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.