SCHEMBL920226

SCHEMBL920226

CCCOc1cccc(Oc2ccc(CNC(=O)c3ccc(F)nc3N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ROCK1 Q13464 1/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
KLKB1 P03952 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 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
SCHEMBL921681 0.96 FAAH (0.44) HDAC1ACACBACACAKLKB1SMN1; SMN2
SCHEMBL919487 0.92 KLKB1 (0.46) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL922078 0.92 FAAH (0.45) HDAC1SMN1; SMN2LMNATSHRFAAH
SCHEMBL922051 0.90 HDAC1 (0.45) HDAC1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920524 0.88 KDM4E (0.50) HDAC1ROCK2ROCK1SMN1; SMN2KDM4E
SCHEMBL921454 0.88 FAAH (0.50) SMN1; SMN2LMNAFAAH
SCHEMBL921301 0.88 KDM4E (0.43) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL921982 0.87 MAPK14 (0.44) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL922765 0.86 MAPK14 (0.47) CYP3A4KLKB1SMN1; SMN2KDM4EALDH1A1
SCHEMBL921335 0.86 HDAC1 (0.44) HDAC1ROCK2CYP3A4CYP2D6CYP2C9

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 HDAC1 166/4885ROCK2 3686/4885CYP3A4 3076/4885

“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.