SCHEMBL920575

SCHEMBL920575

CC(C)Oc1ccccc1Oc1cccc(CNC(=O)c2cccnc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
MAPK8 P45983 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

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
SCHEMBL920948 0.92 KMT2A (0.50) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL921948 0.90 HPGD (0.53) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL920560 0.90 HPGD (0.52) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL919900 0.89 HPGD (0.58) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL922524 0.89 KMT2A (0.52) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL920586 0.88 KMT2A (0.52) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL919731 0.88 HPGD (0.59) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL921046 0.87 HPGD (0.51) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL921405 0.87 HPGD (0.53) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL920061 0.86 HPGD (0.52) KMT2AMAPTALDH1A1HPGDKDM4E

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 KMT2A 2469/4885MAPT 695/4885ALDH1A1 2743/4885

“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.