SCHEMBL646049

SCHEMBL646049

CC(=O)c1ccccc1NC(=O)c1cn(C)nc1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NAMPT P43490 1/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE11A Q9HCR9 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
SCHEMBL10279476 0.89 ATM (0.51) ATMALDH1A1KDM4ENAMPTRAB9A
SCHEMBL647508 0.85 ATM (0.47) ATMALDH1A1KDM4ENAMPTRAB9A
SCHEMBL647509 0.85 ATM (0.47) ATMALDH1A1KDM4ENAMPTRAB9A
SCHEMBL16133857 0.83 ATM (0.53) ATMNAMPTRAB9AL3MBTL1CYP1A2
SCHEMBL645503 0.83 ATM (0.76) ATMALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL10238235 0.83 ATM (0.46) ATMALDH1A1KDM4ENAMPTRAB9A
SCHEMBL647342 0.82 ATM (0.52) ATMNAMPTRAB9AL3MBTL1CYP1A2
SCHEMBL10238472 0.81 ATM (0.49) ATMALDH1A1KDM4ENAMPTRAB9A
SCHEMBL10238297 0.80 ATM (0.50) ATMALDH1A1KDM4EL3MBTL1POLB
SCHEMBL8234005 0.78 NAMPT (0.39) ATMALDH1A1NAMPTRAB9AL3MBTL1

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 22 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-20100152266-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-06-17 US disclosed
US-20100152266-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-06-17 US disclosed
US-7687531-B2 N-(3',4'dichloro-5-fluoro-1,1'-biphenyl-2-yl)-3-iodo-1-methyl-1H-pyrazole4-carboxamide; fungicides; molds/fungi/; plants/organisms/; controlling microorganisms; microbiocides; dermatophytes; Candida; Epidermophyton; Aspergillus; Trichophyton BAYER CROPSCIENCE AG (DE) 2010-03-30 US disclosed
US-7687531-B2 N-(3',4'dichloro-5-fluoro-1,1'-biphenyl-2-yl)-3-iodo-1-methyl-1H-pyrazole4-carboxamide; fungicides; molds/fungi/; plants/organisms/; controlling microorganisms; microbiocides; dermatophytes; Candida; Epidermophyton; Aspergillus; Trichophyton BAYER CROPSCIENCE AG (DE) 2010-03-30 US disclosed
US-7687531-B2 N-(3',4'dichloro-5-fluoro-1,1'-biphenyl-2-yl)-3-iodo-1-methyl-1H-pyrazole4-carboxamide; fungicides; molds/fungi/; plants/organisms/; controlling microorganisms; microbiocides; dermatophytes; Candida; Epidermophyton; Aspergillus; Trichophyton BAYER CROPSCIENCE AG (DE) 2010-03-30 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
EP-1628962-A1 IODOPYRAZOLYL CARBOXANILIDES Bayer CropScience AG (DE) 2006-03-01 EP 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 ATM 1738/4885ALDH1A1 804/4885KDM4E 2590/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 ATM 2268/4885ALDH1A1 1194/4885KDM4E 2214/4885
US-20100152266-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 ATM 1738/4885ALDH1A1 804/4885KDM4E 2590/4885

“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.