SCHEMBL5413614

SCHEMBL5413614

Cc1c(Oc2ccc([N+](=O)[O-])cc2)ccc2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NOS1 P29475 3/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 2/20 0.44
HSPB1 P04792 3/20 0.43
LMNA P02545 3/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
P4HB P07237 1/20 0.40
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE7A Q13946 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL5407756 0.85 MAPT (0.45) MAPTNOS1POLBMAOBLMNA
SCHEMBL5418729 0.83 KMT2A (0.48) MAPTNOS1POLBMAOBLMNA
Hydrochloric Acid SCHEMBL5412913 0.80 DRD1 (0.40) MAPTPOLBMEN1KMT2AIDO1
SCHEMBL15897098 0.78 MAPT (0.50) MAPTNOS1POLBMAOBHTT
Hydrochloric Acid SCHEMBL5413583 0.75 CYP11B1 (0.49)
Hydrochloric Acid SCHEMBL5412908 0.75 AKT2 (0.40) MAPTNOS1MAOBHTTLMNA
SCHEMBL2571809 0.73 NOS1 (0.61) MAPTNOS1POLBMAOBLMNA
SCHEMBL30310261 0.73 PDGFRA (0.47) MAPTNOS1POLBMAOBHTT
SCHEMBL26084095 0.73 PDGFRA (0.47) MAPTNOS1POLBMAOBHTT
SCHEMBL680497 0.71 MAPT (0.55) MAPTNOS1POLBMAOBHTT

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 MAPT 3261/4885NOS1 131/4885POLB 3765/4885

“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.