SCHEMBL10279909

SCHEMBL10279909

CCCCc1ccccc1NC(=O)c1cn(C)nc1I

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
SLC16A3 O15427 6/20 0.46
SCD O00767 2/20 0.42
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NR4A1 P22736 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL13645568 0.85 ATM (0.48) ATMSLC16A3POLBKDM4ENR4A1
SCHEMBL10238298 0.84 ATM (0.47) ATMSLC16A3SCDPOLBDHODH
Methylamine SCHEMBL27679239 0.82 ATM (0.43) ATMSLC16A3CNR2CNR1POLB
SCHEMBL14280280 0.79 SLC16A3 (0.55) SLC16A3POLBTDP1
SCHEMBL10238233 0.78 CYP3A4 (0.44) ATMCNR2CNR1POLBKDM4E
SCHEMBL645503 0.78 ATM (0.76) ATMKDM4ERAB9ANPSR1
SCHEMBL646049 0.78 ATM (0.53) ATMPOLBKDM4ERAB9A
SCHEMBL16133857 0.78 ATM (0.53) ATMPOLBRAB9A
Methylamine SCHEMBL27546412 0.77 SLC16A3 (0.53) SLC16A3POLBTDP1
SCHEMBL647342 0.77 ATM (0.52) ATMPOLBRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1738/4885SLC16A3 2332/4885SCD 4545/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 ATM 2268/4885SLC16A3 4215/4885SCD 4405/4885
US-20100152266-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 ATM 1738/4885SLC16A3 2332/4885SCD 4545/4885

“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.