SCHEMBL3723641

SCHEMBL3723641

Cc1cccc(-c2ccccc2N)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
CCR8 P51685 1/20 0.58
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
TGFBR1 P36897 12/20 0.48
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 1/20 0.43
CYP2A6 P11509 1/20 0.42
METAP2 P50579 1/20 0.42

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
SCHEMBL13056712 0.85 ALDH1A1 (0.57) CCR1CCR8KDM4ENPC1GAA
SCHEMBL24498399 0.80 CCR1 (0.48) CCR1CCR8KDM4ENPC1GAA
SCHEMBL462761 0.79 CCR1 (0.52) CCR1CCR8KDM4EGAANOS3
SCHEMBL29973142 0.79 CCR1 (0.52) CCR1CCR8KDM4EGAANOS3
SCHEMBL995546 0.79 CCR1 (0.52) CCR1CCR8HSD17B10NOS3NOS2
SCHEMBL10374376 0.79 CCR1 (0.62) CCR1CCR8NPC1GAANOS3
Hydrochloric Acid SCHEMBL7086071 0.78 CCR1 (0.50) CCR1CCR8KDM4EGAANOS3
Hydrochloric Acid SCHEMBL7089446 0.78 CCR1 (0.50) CCR1CCR8KDM4EGAANOS3
SCHEMBL21084071 0.76 CCR1 (0.58) CCR1CCR8KDM4EHSD17B10TGFBR1
SCHEMBL2614974 0.76 CCR1 (0.58) CCR1CCR8GAATGFBR1L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078440-B2 6-(2-aminophenyl)picolinates and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-14 US disclosed
US-9078440-B2 6-(2-aminophenyl)picolinates and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-14 US disclosed
US-20130326735-A1 6-(2-Aminophenyl)picolinates and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-05 US disclosed
US-20130326735-A1 6-(2-Aminophenyl)picolinates and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-05 US disclosed
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
CN-103380116-A 6-(2-aminophenyl)picolinates and their use as herbicides BAYER IP GMBH 2013-10-30 CN disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed
WO-2010102709-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-09-16 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-20130326735-A1 6-(2-Aminophenyl)picolinates and their use as herbicides HPD, DDT, PTPRG CCR1 4768/4885CCR8 4694/4885KDM4E 1946/4885

“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.