SCHEMBL5864882

SCHEMBL5864882

CN1C2CCC1CC(Oc1ccc([N+](=O)[O-])cc1Cl)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
CYP2C9 P11712 2/20 0.46
PDE7A Q13946 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCD O00767 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
SCHEMBL1026448 1.00 POLB (0.53) POLBCYP2C9PDE7ASLC6A2SLC6A3
SCHEMBL1022364 1.00 POLB (0.53) POLBCYP2C9PDE7ASLC6A2SLC6A3
SCHEMBL1022365 1.00 POLB (0.53) POLBCYP2C9PDE7ASLC6A2SLC6A3
SCHEMBL1022366 1.00 POLB (0.53) POLBCYP2C9PDE7ASLC6A2SLC6A3
SCHEMBL1022369 0.99 POLB (0.52) POLBCYP2C9PDE7ASLC6A2SLC6A3
SCHEMBL1022368 0.97 POLB (0.51) POLBCYP2C9PDE7ASLC6A2SLC6A3
SCHEMBL4177641 0.85 POLB (0.54) POLBSLC6A2SLC6A3MAPTALDH1A1
SCHEMBL31203149 0.85 CYP2C9 (0.49) CYP2C9PDE7AHSD17B10MAPTALDH1A1
SCHEMBL27265100 0.84 HSD17B10 (0.53) CYP2C9PDE7AHSD17B10MAPTALDH1A1
SCHEMBL1021553 0.84 POLB (0.53) POLBCYP2C9SLC6A2SLC6A3MAPT

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-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 POLB 4474/4885CYP2C9 154/4885PDE7A 4048/4885

“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.