SCHEMBL646511

SCHEMBL646511

Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
SUCNR1 Q9BXA5 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NAMPT P43490 1/20 0.49
CHRM3 P20309 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SSTR2 P30874 1/20 0.46
F10 P00742 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30843951 0.91 ATM (0.52) ATMTDP1MAPTALDH1A1GAA
SCHEMBL1085423 0.90 ATM (0.68) ATMMAPTALDH1A1GAASMN1; SMN2
SCHEMBL4920127 0.89 ATM (0.61) ATMTDP1MAPTALDH1A1GAA
SCHEMBL4094901 0.89 TDP1 (0.58) ATMTDP1MAPTALDH1A1SUCNR1
SCHEMBL30843952 0.89 GAA (0.56) ATMTDP1MAPTALDH1A1GAA
SCHEMBL12393705 0.88 ATM (0.62) ATMMAPTALDH1A1GAASMN1; SMN2
SCHEMBL4157143 0.87 ATM (0.59) ATMTDP1MAPTALDH1A1GAA
SCHEMBL4915607 0.87 ATM (0.59) ATMTDP1MAPTALDH1A1GAA
SCHEMBL2354921 0.87 ATM (0.61) ATMTDP1MAPTALDH1A1GAA
SCHEMBL2341630 0.87 ATM (0.56) ATMTDP1MAPTALDH1A1GAA

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 9 patents. 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-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-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-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 1738/4885TDP1 2029/4885MAPT 4204/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 ATM 2268/4885TDP1 1346/4885MAPT 2769/4885
US-20100152266-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 ATM 1738/4885TDP1 2029/4885MAPT 4204/4885

“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.