SCHEMBL1765338

SCHEMBL1765338

NC(=O)c1cccc(NC=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.50
KDM4E B2RXH2 12/20 0.43
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
MAPT P10636 4/20 0.43
NFKB1 P19838 4/20 0.43
NFKB2 Q00653 4/20 0.43
RELA Q04206 4/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 2/20 0.43
CASP1 P29466 2/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
ERN1 O75460 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40

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
SCHEMBL31486082 1.00 CXCR2 (0.50) CXCR2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4297093 0.84 ALDH1A1 (0.51) CXCR2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2612359 0.83 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14336876 0.82 ERN1 (0.40) CXCR2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL14475281 0.82 RXFP1 (0.43) CXCR2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL14458133 0.82 RXFP1 (0.43) CXCR2KDM4EALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7425418 0.81 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7424567 0.81 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17540384 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11207914 0.80 TSHR (0.44) CXCR2KDM4EALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2061320-A2 FUNGICIDAL MIXTURES COMPRISING SUBSTITUTED 1-METHYLPYRAZOL-4-YLCARBOXANILIDES BASF SE (DE) 2009-05-27 EP claimed
WO-2008095890-A2 FUNGICIDAL MIXTURES COMPRISING SUBSTITUTED 1-METHYLPYRAZOL-4-YLCARBOXANILIDES BASF SE (DE) 2008-08-14 WO claimed
CN-105451559-B Binary is antifungal and bactericidal conjugate 拜耳作物科学股份公司 2018-01-05 CN disclosed
EP-2877028-A1 COMPOSITIONS AND METHOD OF CONTROLLING PHYTOPARASITIC PEST POPULATIONS FBSciences Holdings, Inc. (US) 2015-06-03 EP disclosed
WO-2014015134-A1 COMPOSITIONS AND METHOD OF CONTROLLING PHYTOPARASITIC PEST POPULATIONS FBSCIENCES HOLDINGS, INC. (US) 2014-01-23 WO disclosed
EP-2642854-A2 FUNGICIDAL COMPOSITIONS AND METHODS Bayer Intellectual Property GmbH (DE) 2013-10-02 EP disclosed
WO-2012071520-A2 FUNGICIDAL COMPOSITIONS AND METHODS BAYER CROPSCIENCE LP (US) 2012-05-31 WO disclosed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
WO-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
EP-2296467-A2 METHODS TO CONTROL QOI-RESISTANT FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2011-03-23 EP disclosed
WO-2009155095-A2 METHODS TO CONTROL QOI-RESISTANT FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-12-23 WO disclosed
EP-2081900-A2 NEW N-(3-PYRIDIN-2-YLPROPYL)BENZAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-07-29 EP disclosed
WO-2008046838-A2 N- (3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-04-24 WO disclosed
EP-1885712-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2008-02-13 EP disclosed
EP-1879878-A2 NEW HETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-23 EP disclosed
EP-1871744-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-02 EP disclosed
WO-2006122955-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2006-11-23 WO disclosed
WO-2006108791-A2 HETEROCYCLYLETHYLHETEROCYCLYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO disclosed
WO-2006108792-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-10-19 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-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX CXCR2 3042/4885KDM4E 2182/4885ALDH1A1 240/4885

“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.