SCHEMBL669816

SCHEMBL669816

O=C(NCCc1ccccc1)c1cc[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 7/20 0.55
HIF1A Q16665 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
FAAH O00519 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
CA9 Q16790 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL4288847 0.84 MMP13 (0.58) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL20029114 0.80 ACR (0.43) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL22372130 0.76 HPGD (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7703356 0.76 RAB9A (0.54) RAB9ANPC1HIF1ASMN1; SMN2ALDH1A1
SCHEMBL31145858 0.76 KDM4C (0.47) HIF1AALDH1A1KMT2ACA1CA2
SCHEMBL31145863 0.76 KDM4C (0.47) HIF1AALDH1A1KMT2ACA1CA2
SCHEMBL29411413 0.75 HIF1A (0.49) RAB9ANPC1HIF1ASMN1; SMN2ALDH1A1
SCHEMBL21045536 0.75 HIF1A (0.49) RAB9ANPC1HIF1ASMN1; SMN2ALDH1A1
SCHEMBL7704092 0.75 KMT2A (0.69) RAB9ANPC1HIF1ASMN1; SMN2ALDH1A1
SCHEMBL30131466 0.75 KMT2A (0.69) RAB9ANPC1HIF1ASMN1; SMN2ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719280-A1 Use of N-phenylethylpyrazole carboxamide derivatives or salts thereof for resistance management of phytopathogenic fungi Bayer CropScience AG (DE) 2014-04-16 EP claimed
US-20140051735-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-20 US claimed
US-20130245050-A1 Use of N-Phenylethylpyraozole Carboxamide Derivatives or Salts Thereof for Extending Shelf Life of Fruits and Vegetables BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 US claimed
EP-2605656-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS Bayer Intellectual Property GmbH (DE) 2013-06-26 EP claimed
EP-2605657-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR EXTENDING SHELF LIFE OF FRUITS AND VEGETABLES Bayer Intellectual Property GmbH (DE) 2013-06-26 EP claimed
WO-2012022705-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS BAYER CROPSCIENCE AG (DE) 2012-02-23 WO claimed
WO-2012022706-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR EXTENDING SHELF LIFE OF FRUITS AND VEGETABLES BAYER CROPSCIENCE AG (DE) 2012-02-23 WO claimed
CN-112188836-B Agrochemical formulations containing polymeric crystal growth inhibitors 拜耳公司 2023-05-12 CN disclosed
CN-115551353-A Substituted tolyl fungicides and mixtures thereof FMC公司 2022-12-30 CN disclosed
US-11272706-B2 Anti-resistance method UPL LIMITED (IN) 2022-03-15 US disclosed
CN-113163766-A Pest control agent composition and method of use thereof 日本农药株式会社 2021-07-23 CN disclosed
CN-112188836-A Agrochemical formulations comprising polymeric crystal growth inhibitors 拜耳公司 2021-01-05 CN disclosed
US-10448636-B2 Anti-resistance method UPL LIMITED (IN) 2019-10-22 US disclosed
WO-2012022706-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR EXTENDING SHELF LIFE OF FRUITS AND VEGETABLES BAYER CROPSCIENCE AG (DE) 2012-02-23 WO disclosed
WO-2012022706-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR EXTENDING SHELF LIFE OF FRUITS AND VEGETABLES BAYER CROPSCIENCE AG (DE) 2012-02-23 WO disclosed
WO-2012022705-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS BAYER CROPSCIENCE AG (DE) 2012-02-23 WO disclosed
WO-2012022705-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS BAYER CROPSCIENCE AG (DE) 2012-02-23 WO disclosed
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 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-20130245050-A1 Use of N-Phenylethylpyraozole Carboxamide Derivatives or Salts Thereof for Extending Shelf Life of Fruits and Vegetables PNPO, PDXK, SIRT3 RAB9A 4218/4885NPC1 3333/4885HIF1A 4715/4885
US-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP RAB9A 291/4885NPC1 1266/4885HIF1A 2719/4885
US-20140051735-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS BROX, ME3, ME1 RAB9A 2722/4885NPC1 2133/4885HIF1A 3170/4885

“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.