SCHEMBL5407397

SCHEMBL5407397

CC(C)COc1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
MAOB P27338 2/20 0.49
XDH P47989 1/20 0.49
RAB9A P51151 4/20 0.45
NOS1 P29475 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
METAP2 P50579 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5415296 0.85 MAOB (0.47) KCNH2MAOBRAB9ANOS1MEN1
SCHEMBL5404713 0.84 MAOB (0.46) KCNH2MAOBRAB9ANOS1MEN1
SCHEMBL3537344 0.82 RAB9A (0.60) MAOBRAB9ANOS1MEN1KMT2A
SCHEMBL19607298 0.81 KCNH2 (0.57) KCNH2MAOBRAB9ANOS1MEN1
SCHEMBL5409414 0.79 DYRK3 (0.44) KCNH2MAOBRAB9AMEN1KMT2A
SCHEMBL16023025 0.79 RAB9A (0.50) MAOBRAB9ANOS1MEN1KMT2A
SCHEMBL2564039 0.78 MAOB (0.45) KCNH2MAOBRAB9AROCK2ROCK1
SCHEMBL4980408 0.78 MAOB (0.52) MAOBRAB9ANOS1MEN1KMT2A
SCHEMBL5413632 0.78 ABL1 (0.46) MAOBRAB9ANOS1MEN1KMT2A
SCHEMBL16023281 0.78 ABL1 (0.46) MAOBRAB9ANOS1MEN1KMT2A

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 KCNH2 3117/4885MAOB 2025/4885XDH 416/4885

“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.