SCHEMBL5407776

SCHEMBL5407776

N[C@H]1CC[C@@H](Oc2ccc3[nH]ncc3c2Br)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.37
AXL P30530 2/20 0.37
IDO1 P14902 4/20 0.34
TDO2 P48775 4/20 0.34
TIPARP Q7Z3E1 1/20 0.34
FEN1 P39748 1/20 0.34
AKT2 P31751 1/20 0.33
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
FLT3 P36888 1/20 0.32
METAP2 P50579 1/20 0.31
CSNK2A1 P68400 1/20 0.31
ULK1 O75385 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CCNA2 P20248 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL5415382 1.00 NOS1 (0.37) NOS1AXLIDO1TDO2TIPARP
SCHEMBL5407787 1.00 NOS1 (0.37) NOS1AXLIDO1TDO2TIPARP
SCHEMBL5414989 0.84 ULK1 (0.38) NOS1AXLIDO1TDO2AKT2
SCHEMBL5405823 0.84 ULK1 (0.38) NOS1AXLIDO1TDO2AKT2
SCHEMBL5414984 0.84 ULK1 (0.38) NOS1AXLIDO1TDO2AKT2
SCHEMBL5405820 0.84 ULK1 (0.38) NOS1AXLIDO1TDO2AKT2
SCHEMBL5405812 0.84 ULK1 (0.38) NOS1AXLIDO1TDO2AKT2
SCHEMBL5410900 0.83 AXL (0.43) NOS1AXLIDO1TIPARPFEN1
SCHEMBL5410993 0.83 AXL (0.43) NOS1AXLIDO1TIPARPFEN1
SCHEMBL5410905 0.83 AXL (0.43) NOS1AXLIDO1TIPARPFEN1

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 NOS1 131/4885AXL 1805/4885IDO1 2940/4885

“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.