SCHEMBL4605666

SCHEMBL4605666

Cc1nnnn1-c1cccc(NC(=O)Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FAAH O00519 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42
THRB P10828 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
SCHEMBL9200097 0.86 CYP1A2 (0.50) CYP1A2ALDH1A1SMN1; SMN2FAAHCYP3A4
SCHEMBL14527803 0.82 POLB (0.61) ALDH1A1KMT2AMAPTGAAPOLB
SCHEMBL14005986 0.81 IDO1 (0.55) CYP1A2ALDH1A1MAPK1MAPTGAA
SCHEMBL20630845 0.79 PTK2 (0.47) ALDH1A1SMN1; SMN2MAPTGAALMNA
SCHEMBL23239979 0.77 CYP1A2 (0.53) CYP1A2ALDH1A1SMN1; SMN2FAAHCYP3A4
SCHEMBL4437613 0.77 CYP1A2 (0.53) CYP1A2ALDH1A1SMN1; SMN2FAAHCYP3A4
SCHEMBL29716248 0.77 CYP1A2 (0.53) CYP1A2ALDH1A1SMN1; SMN2FAAHCYP3A4
SCHEMBL8048626 0.75 CYP1A2 (0.76) CYP1A2ALDH1A1SMN1; SMN2FAAHCYP3A4
SCHEMBL4322886 0.75 NOTUM (0.53) CYP1A2ALDH1A1SMN1; SMN2BCHEACHE
SCHEMBL4581194 0.74 LMNA (0.56) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 CYP1A2 1758/4885ALDH1A1 906/4885SMN1; SMN2 4305/4885

“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.