SCHEMBL5413367

SCHEMBL5413367

CC(=O)Nc1ccccc1Oc1ccc2[nH]ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.55
ROCK1 Q13464 3/20 0.55
NPC1 O15118 7/20 0.48
ATR Q13535 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
JAK2 O60674 3/20 0.47
JAK1 P23458 2/20 0.47
RAB9A P51151 6/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL5415308 0.80 NPC1 (0.51) ROCK2ROCK1NPC1MEN1KMT2A
SCHEMBL5409133 0.78 MIF (0.53) ROCK2ROCK1NPC1MEN1KMT2A
SCHEMBL5423882 0.76 ROCK2 (0.46) ROCK2ROCK1NPC1MEN1KMT2A
SCHEMBL5413417 0.74 GAA (0.59) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL5412584 0.74 MAOB (0.64) NPC1ATRMEN1KMT2AJAK2
SCHEMBL5407364 0.74 MEN1 (0.46) ROCK2ROCK1NPC1MEN1KMT2A
SCHEMBL5411305 0.73 TP53 (0.46) ROCK2ROCK1NPC1MEN1KMT2A
SCHEMBL2342698 0.73 ADRA2C (0.64) MEN1KMT2ARAB9APOLBL3MBTL1
SCHEMBL30327328 0.73 ADRA2C (0.64) MEN1KMT2ARAB9APOLBL3MBTL1
SCHEMBL30892502 0.72 BRD4 (0.62) KMT2ARAB9APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885NPC1 837/4885

“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.