SCHEMBL4487597

SCHEMBL4487597

O=C(O)NC(c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.43
CCR2 P41597 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
CCR3 P51677 1/20 0.42
DRD4 P21917 3/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MCHR1 Q99705 2/20 0.41
NPBWR1 P48145 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
NR2F2 P24468 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL4474041 1.00 KCNJ1 (0.43) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL5618636 1.00 KCNJ1 (0.43) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5618659 0.99 KCNJ1 (0.43) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL7023393 0.94 DRD4 (0.41) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL4481888 0.89 KCNJ1 (0.43) KCNJ1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL4492306 0.84 KCNJ1 (0.37) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL5832174 0.75 KDM4E (0.58) KCNJ1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL4487605 0.74 DRD4 (0.48) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL4474051 0.74 DRD4 (0.48) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL5618649 0.74 DRD4 (0.48) KCNJ1CCR2SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP claimed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP disclosed
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2004-03-25 US disclosed
EP-1324991-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2002026723-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 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 (2 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-20040058907-A1 Compounds useful in the treatment of inflammatory diseases TNF, IL1B, IL4 KCNJ1 4266/4885CCR2 61/4885SMN1; SMN2 3447/4885
US-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 KCNJ1 2059/4885CCR2 47/4885SMN1; SMN2 1975/4885

“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.