SCHEMBL4874528

SCHEMBL4874528

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
SMO Q99835 2/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MAP4K4 O95819 1/20 0.48
CDH1 P12830 1/20 0.44
APC P25054 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
PSD A5PKW4 1/20 0.43
KEAP1 Q14145 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
LDHA P00338 1/20 0.43
LDHB P07195 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
SCHEMBL12170948 0.91 NPC1 (0.66) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL12170985 0.91 HSD17B1 (0.57) CTRCNPC1RAB9AL3MBTL1HSD17B1
SCHEMBL12170941 0.88 KMO (0.56) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL17612316 0.87 HSD17B1 (0.53) CTRCNPC1RAB9AL3MBTL1HSD17B1
SCHEMBL4867523 0.87 HSD17B1 (0.53) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL4876329 0.87 HSD17B1 (0.53) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL12170984 0.86 HSD17B1 (0.50) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL12171867 0.86 HSD17B1 (0.49) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL12171953 0.85 HSD17B1 (0.51) NPC1RAB9AL3MBTL1HSD17B1HSD17B2
SCHEMBL12171853 0.85 NPC1 (0.53) CTRCNPC1RAB9AL3MBTL1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101665469-A Heterocyclic compounds useful as Nurrl activators NOVARTIS AG 2010-03-10 CN disclosed
CN-100475795-C Heterocyclic compounds useful as Nurr1 activators NOVARTIS AG (CH) 2009-04-08 CN disclosed
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
CN-1747942-A Heterocyclic compounds useful as Nurr1 activators NOVARTIS AG (CH) 2006-03-15 CN 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 CTRC 1712/4885NPC1 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.