SCHEMBL4865569

SCHEMBL4865569

O=C(O)c1cccc(-c2cc(-c3ccc(Cl)nc3)on2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAP4K4 O95819 1/20 0.46
KCNH2 Q12809 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
DDT P30046 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
KMO O15229 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
KEAP1 Q14145 1/20 0.42
CASP3 P42574 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
SCHEMBL1505371 0.84 NPC1 (0.68) NPC1RAB9AL3MBTL1MAP4K4RXRA
SCHEMBL1505293 0.83 NPC1 (0.67) NPC1RAB9AL3MBTL1MAP4K4RXRA
SCHEMBL60681 0.82 NPC1 (0.69) NPC1RAB9AL3MBTL1MAP4K4NAPRT
SCHEMBL5206252 0.82 NPC1 (0.66) NPC1RAB9AL3MBTL1ABCB1ABCC1
SCHEMBL4328399 0.80 NPC1 (0.54) NPC1RAB9AKCNH2HSD17B1HSD17B2
SCHEMBL957155 0.80 PTPN1 (0.61) NPC1RAB9AL3MBTL1ABCB1ABCC1
SCHEMBL17336802 0.80 NPC1 (0.62) NPC1RAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL12171548 0.79 NR4A1 (0.50) NPC1RAB9AL3MBTL1ABCB1ABCC1
SCHEMBL12171864 0.79 NR4A1 (0.50) NPC1RAB9AL3MBTL1ABCB1ABCC1
SCHEMBL12171547 0.79 NPC1 (0.53) NPC1RAB9AL3MBTL1ABCB1ABCC1

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 NPC1 620/4885RAB9A 2603/4885L3MBTL1 2456/4885

“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.