SCHEMBL5413632

SCHEMBL5413632

COCC(C)Oc1ccc2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAOB P27338 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 4/20 0.41
NOS1 P29475 3/20 0.41
ROCK1 Q13464 3/20 0.41
METAP2 P50579 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL16023281 1.00 ABL1 (0.46) ABL1RAB9ANPC1MAOBMEN1
SCHEMBL5409414 0.84 DYRK3 (0.44) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL16023025 0.82 RAB9A (0.50) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL5407397 0.78 KCNH2 (0.49) ABL1RAB9ANPC1MAOBMEN1
SCHEMBL4980408 0.78 MAOB (0.52) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL1141784 0.76 RAB9A (0.57) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL5415296 0.75 MAOB (0.47) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL14738568 0.75 MAPT (0.52) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL5404713 0.74 MAOB (0.46) RAB9ANPC1MAOBMEN1KMT2A
SCHEMBL2660071 0.73 LRRK2 (0.52) LRRK2

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 ABL1 183/4885RAB9A 85/4885NPC1 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.