SCHEMBL6714799

SCHEMBL6714799

COc1ccc([N+](=O)[O-])cc1C1CCN(C2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
SLC18A3 Q16572 2/20 0.49
MAPT P10636 4/20 0.48
HSP90AA1 P07900 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ABCB1 P08183 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL1531299 0.84 TDP1 (0.57) MAPK1MAPTHSP90AA1NPSR1L3MBTL1
SCHEMBL6781971 0.81 MAPK1 (0.52) MAPK1MAPTHSP90AA1NPSR1L3MBTL1
SCHEMBL7064744 0.80 DRD2 (0.60) MAPK1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6824482 0.80 MAPK1 (0.47) MAPK1MAPTNPSR1L3MBTL1TDP1
Potassium Ion SCHEMBL6716540 0.79 MAPK1 (0.49) MAPK1MAPTHSP90AA1NPSR1L3MBTL1
SCHEMBL6824484 0.79 MAPK1 (0.54) MAPK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL4192847 0.78 MAPK1 (0.47) MAPK1NPSR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6714974 0.78 ABCB1 (0.47) SLC18A3MAPTLMNAALDH1A1ABCB1
SCHEMBL6785307 0.78 HTR2C (0.54) MAPK1MAPTHSP90AA1NPSR1L3MBTL1
SCHEMBL6827316 0.78 MAPK1 (0.44) MAPK1MAPTNPSR1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
WO-2004010943-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 WO 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-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 MAPK1 2816/4885SLC18A3 464/4885MAPT 1705/4885

“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.