SCHEMBL5526470

SCHEMBL5526470

O=C[N]c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
PLAU P00749 1/20 0.41
GLB1 P16278 1/20 0.41
CTRB1 P17538 1/20 0.41
CTRC Q99895 1/20 0.41
NOS1 P29475 2/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL5419235 0.74 CYP2A6 (0.46) CYP2A6SLC22A2SLC22A1SLC22A3PLAU
SCHEMBL5523290 0.74 HSD17B10 (0.46) CYP2A6SLC22A2SLC22A1SLC22A3PLAU
SCHEMBL5523252 0.74 SLC22A2 (0.41) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL2086877 0.72
SCHEMBL5515083 0.72 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL942196 0.69
SCHEMBL5523656 0.69 CYP2C9 (0.47) CYP2A6PLAUALDH1A1CYP2C9GRIN2D
SCHEMBL5526463 0.69 NOS3 (0.45) CYP2A6NOS1CYP1B1ALDH1A1KDM4E
SCHEMBL5529092 0.69 ALDH1A1 (0.52) CYP2A6CES2CES1ALDH1A1KMT2A
SCHEMBL1904818 0.68

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 US 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 CYP2A6 2239/4885SLC22A2 1705/4885SLC22A1 1138/4885

“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.