SCHEMBL919973

SCHEMBL919973

CCCOc1cccc(Oc2cccc(CNC(=O)c3cccnc3N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.57
ROCK2 O75116 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
MAPK8 P45983 1/20 0.48
TSHR P16473 1/20 0.47
BACE1 P56817 1/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 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

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
SCHEMBL921059 0.96 ROCK1 (0.61) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920496 0.95 HPGD (0.54) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL921759 0.95 HPGD (0.54) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL921939 0.93 MAPK8 (0.50) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920709 0.92 HPGD (0.62) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920783 0.91 HPGD (0.54) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920791 0.91 HPGD (0.58) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL921958 0.90 HPGD (0.57) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920062 0.90 HPGD (0.57) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920646 0.89 HPGD (0.59) ROCK1ROCK2CYP3A4CYP2D6CYP2C9

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 ROCK1 2455/4885ROCK2 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.