SCHEMBL13320682

SCHEMBL13320682

Cc1ccc(-c2cc(N)c(C)c(C(=O)O)n2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.40
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
MAPT P10636 1/20 0.33
PRKDC P78527 1/20 0.32
ATR Q13535 1/20 0.32
ALPL P05186 1/20 0.32
CA9 Q16790 1/20 0.32
MAP2K3 P46734 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32

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
SCHEMBL19019685 0.80 PRKAB2 (0.38) KDM4EMEN1KMT2ARARARARB
SCHEMBL16076561 0.76 EIF4E (0.36) TDP1RARARARBRARGPRKDC
SCHEMBL16076572 0.73 KMO (0.36) TDP1MEN1KMT2AALPL
SCHEMBL1918578 0.73 KDM4E (0.40) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL2465852 0.71 PPARA (0.38) NUDT1TDP1MEN1KMT2AALPL
SCHEMBL16076603 0.71 CYP3A4 (0.38) TDP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20727047 0.71 EIF4E (0.36) TDP1RARARARBRARGPRKAB2
SCHEMBL16076583 0.70 KMO (0.34) TDP1MEN1KMT2A
SCHEMBL2470387 0.70 GRM2 (0.43) TDP1
SCHEMBL2469705 0.70 ALPL (0.47) TDP1KDM4EMEN1KMT2AMAPT

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-8916498-B2 Safening 6-(trisubstituted phenyl)-4-amino-2-pyridinecarboxylate herbicide injury on direct seeded and transplanted paddy rice DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-8530383-B2 Safening 6-(trisubstituted phenyl)-4-amino-2-pyridinecarboxylate herbicide injury on cereal crops DOW AGROSCIENCES LLC (US) 2013-09-10 US disclosed
US-20100130362-A1 SAFENING 6-(TRISUBSTITUTED PHENYL)-4-AMINO-2-PYRIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS DOW AGROSCIENCES LLC (US) 2010-05-27 US disclosed
US-20100130363-A1 SAFENING COMPOSITION OF 6-(TRISUBSTITUTED PHENYL)-4-AMINO-2-PYRIDINECARBOXYLATE HERBICIDES AND CLOQUINTOCET-MEXYL FOR CEREAL CROPS DOW AGROSCIENCES LLC (US) 2010-05-27 US disclosed
US-20100130361-A1 SAFENING 6-(TRISUBSTITUTED PHENYL)-4-AMINO-2-PYRIDINECARBOXYLATE HERBICIDE INJURY ON DIRECT SEEDED AND TRANSPLANTED PADDY RICE DOW AGROSCIENCES LLC (US) 2010-05-27 US disclosed
US-20090062121-A1 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DOW AGROSCIENCES LLC (US) 2009-03-05 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 (4 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-20100130361-A1 SAFENING 6-(TRISUBSTITUTED PHENYL)-4-AMINO-2-PYRIDINECARBOXYLATE HERBICIDE INJURY ON DIRECT SEEDED AND TRANSPLANTED PADDY RICE DDT, CYP4F3, CYP3A43 NUDT1 824/4885TDP1 3539/4885KDM4E 2509/4885
US-20090062121-A1 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DHFR, DPYD, DDT NUDT1 209/4885TDP1 1946/4885KDM4E 1949/4885
US-20100130362-A1 SAFENING 6-(TRISUBSTITUTED PHENYL)-4-AMINO-2-PYRIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS DDT, DBF4, DHFR NUDT1 2652/4885TDP1 2469/4885KDM4E 2776/4885
US-20100130363-A1 SAFENING COMPOSITION OF 6-(TRISUBSTITUTED PHENYL)-4-AMINO-2-PYRIDINECARBOXYLATE HERBICIDES AND CLOQUINTOCET-MEXYL FOR CEREAL CROPS PLPBP, MTX2, CIP2A NUDT1 1110/4885TDP1 1370/4885KDM4E 1424/4885

“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.