SCHEMBL4094901

SCHEMBL4094901

Cn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(I)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
SUCNR1 Q9BXA5 2/20 0.49
CHRM3 P20309 2/20 0.48
ATM Q13315 1/20 0.48
F10 P00742 3/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
AURKA O14965 2/20 0.43
PLA2G1B P04054 1/20 0.43
THRB P10828 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10238297 0.90 ATM (0.50) TDP1ATMLMNAPOLBALDH1A1
SCHEMBL646511 0.89 ATM (0.62) TDP1SUCNR1CHRM3ATMF10
SCHEMBL10238274 0.89 CHRM3 (0.50) TDP1CHRM3ATMLMNAPOLB
SCHEMBL10238277 0.88 CHRM3 (0.52) TDP1SUCNR1CHRM3ATMLMNA
SCHEMBL10238279 0.88 ATM (0.54) TDP1ATMLMNAPOLBALDH1A1
SCHEMBL645443 0.86 NTRK1 (0.46) TDP1CHRM3ATMLMNAALDH1A1
SCHEMBL121957 0.85 TDP1 (0.53) TDP1SUCNR1CHRM3ATMF10
SCHEMBL29419144 0.85 TDP1 (0.53) TDP1SUCNR1CHRM3ATMF10
SCHEMBL14578046 0.85 LMNA (0.68) TDP1SUCNR1CHRM3ATMF10
SCHEMBL10238290 0.85 NTRK1 (0.57) CHRM3ATMLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 US claimed
EP-1890540-A2 CARBOXAMIDES Bayer CropScience AG (DE) 2008-02-27 EP claimed
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
EP-1628962-B1 Iodopyrazolyl carboxanilides BAYER IP GMBH (DE) 2014-10-01 EP disclosed
US-20130190375-A1 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-07-25 US disclosed
US-20130190375-A1 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-07-25 US disclosed
US-20130190375-A1 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-07-25 US disclosed
US-8431600-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2013-04-30 US disclosed
US-8431600-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2013-04-30 US disclosed
US-8431600-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2013-04-30 US disclosed
US-8119682-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2012-02-21 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-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 US disclosed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 US disclosed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 US disclosed
EP-1890540-A2 CARBOXAMIDES Bayer CropScience AG (DE) 2008-02-27 EP 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
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 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-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 TDP1 2497/4885SUCNR1 349/4885CHRM3 1775/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 TDP1 1346/4885SUCNR1 3884/4885CHRM3 573/4885
US-20130190375-A1 CARBOXAMIDES NAAA, CBR3, CNR1 TDP1 2497/4885SUCNR1 349/4885CHRM3 1775/4885

“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.