SCHEMBL647342

SCHEMBL647342

Cn1cc(C(=O)Nc2ccccc2B(O)O)c(I)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
POLB P06746 2/20 0.40
NAMPT P43490 1/20 0.40
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
LIPE Q05469 3/20 0.38
LMNA P02545 3/20 0.38
JAK2 O60674 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL645503 0.82 ATM (0.76) ATMSMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL16133857 0.82 ATM (0.53) ATMPOLBNAMPTGAASMN1; SMN2
SCHEMBL646049 0.82 ATM (0.53) ATMPOLBNAMPTGAASMN1; SMN2
SCHEMBL10279476 0.80 ATM (0.51) ATMPOLBNAMPTGAASMN1; SMN2
SCHEMBL10238297 0.79 ATM (0.50) ATMPOLBLMNAJAK2L3MBTL1
SCHEMBL10279909 0.77 ATM (0.48) ATMPOLBRAB9A
SCHEMBL4094901 0.77 TDP1 (0.58) ATMPOLBSMN1; SMN2LMNAJAK2
SCHEMBL10238279 0.77 ATM (0.54) ATMPOLBLMNAL3MBTL1IRAK4
SCHEMBL13645568 0.77 ATM (0.48) ATMPOLBNAMPTGAASMN1; SMN2
SCHEMBL10238298 0.76 ATM (0.47) ATMPOLBSMN1; SMN2LMNAJAK2

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 21 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
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-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 1738/4885POLB 2519/4885NAMPT 3078/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 ATM 2268/4885POLB 1492/4885NAMPT 3658/4885
US-20100152266-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 ATM 1738/4885POLB 2519/4885NAMPT 3078/4885

“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.