SCHEMBL647668

SCHEMBL647668

CCCC(C)(O)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 5/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 3/20 0.34
ESR1 P03372 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL3769185 0.89 CNR1 (0.46) HSP90AA1HSP90AB1CNR1CNR2CYP2C19
SCHEMBL18759138 0.86 ALDH1A1 (0.36) HSP90AA1HSP90AB1CYP2C19CYP1A2CYP2C9
SCHEMBL631669 0.84 CNR1 (0.37) CNR1CNR2CYP2C19CYP1A2CYP2C9
SCHEMBL4802713 0.82 HSP90AA1 (0.42) HSP90AA1HSP90AB1CYP2C19ALDH1A1ALOX15
SCHEMBL6470377 0.82 CNR1 (0.38) CNR1CNR2CYP2C19CYP1A2CYP2C9
SCHEMBL20528313 0.82 HSP90AA1 (0.36) HSP90AA1CYP2C9ALDH1A1ALOX15CYP3A4
SCHEMBL10593070 0.79 HSP90AA1 (0.39) HSP90AA1HSP90AB1CYP2C19ALDH1A1CYP3A4
SCHEMBL12971341 0.78 CYP1A2 (0.37) CNR1CNR2CYP2C19CYP1A2CYP2C9
SCHEMBL3912943 0.78 HSP90AA1 (0.38) HSP90AA1HSP90AB1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7781942 0.77 HSP90AA1 (0.40) HSP90AA1CYP2C19ALDH1A1ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628962-B1 Iodopyrazolyl carboxanilides BAYER IP GMBH (DE) 2014-10-01 EP disclosed
EP-1628962-B1 Iodopyrazolyl carboxanilides BAYER IP GMBH (DE) 2014-10-01 EP disclosed
US-8119682-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119682-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119682-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20110124698-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-26 US disclosed
US-20110124698-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-26 US disclosed
US-20110124698-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-26 US disclosed
US-7906656-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2011-03-15 US disclosed
US-7906656-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2011-03-15 US disclosed
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070066673-A1 Iodopyrazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-03-22 US disclosed
US-20070066673-A1 Iodopyrazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-03-22 US disclosed
US-20070066673-A1 Iodopyrazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-03-22 US disclosed
CN-1791582-A Iodopyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2006-06-21 CN disclosed
CN-1791569-A Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CROPSCIENCE AG (DE) 2006-06-21 CN disclosed
EP-1628962-A1 IODOPYRAZOLYL CARBOXANILIDES Bayer CropScience AG (DE) 2006-03-01 EP disclosed
EP-1628948-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF Bayer CropScience AG (DE) 2006-03-01 EP disclosed
WO-2004103953-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO disclosed
WO-2004103975-A1 IODOPYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 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-20110124698-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 HSP90AA1 4267/4885HSP90AB1 4278/4885CNR1 277/4885
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof FBL, Q6ZSR9, DDT HSP90AA1 4314/4885HSP90AB1 3883/4885CNR1 2618/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 HSP90AA1 4198/4885HSP90AB1 4202/4885CNR1 836/4885

“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.