SCHEMBL921652

SCHEMBL921652

COCc1ccc(C(=O)NCc2ccc(Oc3ccc(Br)cc3)cc2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRM4 P08173 2/20 0.39
HDAC1 Q13547 1/20 0.39
KMT2A Q03164 2/20 0.39
LIPG Q9Y5X9 1/20 0.39
MAPK14 Q16539 2/20 0.39
GAA P10253 1/20 0.39
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FLT1 P17948 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL1680584 0.94 AKR1B1 (0.42) AKR1B1EGLN1TP53RXFP1HPGD
SCHEMBL922841 0.91 EGLN1 (0.49) EGLN1RXFP1HPGDALDH1A1CHRM4
SCHEMBL919997 0.90 MAPK14 (0.50) EGLN1TP53RXFP1HPGDALDH1A1
SCHEMBL920018 0.90 TP53 (0.41) EGLN1TP53HPGDALDH1A1CHRM4
SCHEMBL922079 0.90 MAPK14 (0.50) EGLN1TP53RXFP1HPGDALDH1A1
SCHEMBL922798 0.90 HPGD (0.42) EGLN1TP53RXFP1HPGDALDH1A1
SCHEMBL920104 0.90 HPGD (0.47) HPGDALDH1A1CHRM4KMT2AMAPK14
SCHEMBL920779 0.89 LIPG (0.51) LIPGMAPK14CYP3A4HTTSMN1; SMN2
SCHEMBL920880 0.89 EGLN1 (0.41) EGLN1HPGDALDH1A1CHRM4KMT2A
SCHEMBL920636 0.89 CYP3A4 (0.48) EGLN1TP53RXFP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 (1 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 AKR1B1 1454/4885EGLN1 430/4885TP53 3497/4885

“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.