SCHEMBL4869387

SCHEMBL4869387

COC(=O)c1cccc(-c2nc(-c3ccc(Cl)cc3)co2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
CNR1 P21554 1/20 0.47
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
SMO Q99835 2/20 0.46
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL29215373 0.92 PLAU (0.49) PLAUNPC1RAB9AMAPTHSD17B1
SCHEMBL7221944 0.86 ALDH1A1 (0.54) NPC1RAB9AMAPTSMOENPP3
SCHEMBL9848740 0.85 HSD17B1 (0.44) NPC1RAB9AMAPTHSD17B1HSD17B2
SCHEMBL7215098 0.85 SDHB (0.49) PLAUNPC1RAB9AHSD17B1HSD17B2
SCHEMBL4874528 0.85 CTRC (0.55) NPC1RAB9AHSD17B1HSD17B2SMO
SCHEMBL1505253 0.85 PLAU (0.45) PLAUNPC1RAB9AMAPTHSD17B1
SCHEMBL7221412 0.80 ENPP3 (0.62) NPC1RAB9AMAPTHSD17B1HSD17B2
SCHEMBL27137907 0.80 NPC1 (0.50) PLAUNPC1RAB9AGABRG2GABRB3
SCHEMBL6162997 0.78 MAPT (0.54) PLAUNPC1RAB9AMAPTGABRG2
SCHEMBL4418279 0.78 NPC1 (0.46) PLAUNPC1RAB9AGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432293-B2 Heterocyclic compounds useful as Nurr-1 activators NOVARTIS AG (CH) 2008-10-07 US disclosed
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NOVARTIS AG (CH) 2006-04-27 US disclosed
EP-1597243-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072050-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS NOVARTIS AG (CH) 2004-08-26 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-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NCOR1, NCOR2, NR4A1 PLAU 4679/4885NPC1 620/4885RAB9A 2603/4885

“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.