SCHEMBL4492306

SCHEMBL4492306

O=C(O)NC(c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccc(Cl)s2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD4 P21917 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CCR3 P51677 1/20 0.33
CCR2 P41597 1/20 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
SCHEMBL4487597 0.84 KCNJ1 (0.43) KCNJ1ALDH1A1MAPTSMN1; SMN2DRD4
SCHEMBL5618636 0.84 KCNJ1 (0.43) KCNJ1ALDH1A1MAPTSMN1; SMN2DRD4
SCHEMBL4474041 0.84 KCNJ1 (0.43) KCNJ1ALDH1A1MAPTSMN1; SMN2DRD4
Hydrochloric Acid SCHEMBL5618659 0.83 KCNJ1 (0.43) KCNJ1ALDH1A1MAPTSMN1; SMN2DRD4
SCHEMBL4481888 0.80 KCNJ1 (0.43) KCNJ1ALDH1A1MAPTSMN1; SMN2DRD4
SCHEMBL7023393 0.79 DRD4 (0.41) KCNJ1ALDH1A1MAPTSMN1; SMN2DRD4
SCHEMBL4492316 0.74 DRD4 (0.42) KCNJ1ALDH1A1MAPTSMN1; SMN2DRD4
SCHEMBL6668238 0.73 DRD4 (0.43) ALDH1A1SMN1; SMN2DRD4LMNAKDM4E
SCHEMBL6642668 0.69 CCR3 (0.46) ALDH1A1DRD4LMNASIGMAR1CCR3
SCHEMBL4023816 0.62 DRD4 (0.44) DRD4

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-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-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 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-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 KCNJ1 2059/4885ALDH1A1 2920/4885MAPT 4383/4885

“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.