SCHEMBL3333535

SCHEMBL3333535

Nc1cc(-c2ccc3ccccc3c2)nc(C(=O)O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CTRC Q99895 2/20 0.49
CYP1A2 P05177 1/20 0.49
CA12 O43570 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AR P10275 1/20 0.43
GFER P55789 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL3329998 0.87 CTRC (0.54) CTRCCYP1A2MEN1KMT2AKDM4E
SCHEMBL2469999 0.87 MAP2K3 (0.51) CTRCMEN1KMT2AKDM4EALDH1A1
SCHEMBL2464642 0.84 ALPL (0.52) CYP1A1CYP1B1CTRCCYP1A2RAB9A
SCHEMBL2465139 0.83 KMO (0.55) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL2468156 0.82 CTRC (0.51) CTRCCA12MEN1KMT2ARAB9A
SCHEMBL2467622 0.82 KMO (0.51) RAB9ANPC1
SCHEMBL2468814 0.81 DHODH (0.50) CTRCRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2470066 0.81 ALPL (0.46) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL2462741 0.80 CYP1A1 (0.50) CYP1A1CYP1B1CTRCCYP1A2CA12
SCHEMBL16088077 0.80 KDM4E (0.46) KDM4EALDH1A1HPGD

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-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
CN-102300459-A Herbicide-safener combination 2011-12-28 CN disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
CN-1245401-C 6-aryl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-03-15 CN disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
CN-1551876-A 6-aryl-4-aminopicolinates and their use as herbicides �ݶ�ũ�����޹�˾ 2004-12-01 CN disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
EP-1414814-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2004-05-06 EP disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US disclosed
WO-2003011853-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2003-02-13 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 (3 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CYP1A1 25/4885CYP1B1 40/4885CTRC 3161/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CYP1A1 545/4885CYP1B1 318/4885CTRC 2328/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CYP1A1 25/4885CYP1B1 40/4885CTRC 3161/4885

“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.