SCHEMBL4867523

SCHEMBL4867523

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
HDAC6 Q9UBN7 2/20 0.46
MAOA P21397 1/20 0.46
BLVRB P30043 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAP2K4 P45985 1/20 0.44
SMO Q99835 2/20 0.44
KEAP1 Q14145 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
DHODH Q02127 1/20 0.43
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
KMO O15229 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ADCY8 P40145 1/20 0.43
ADCY1 Q08828 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
SCHEMBL12172002 0.91 PDE4B (0.49) HSD17B1HSD17B2HDAC6MAOABLVRB
SCHEMBL12170985 0.91 HSD17B1 (0.57) HSD17B1HSD17B2HDAC6MAOABLVRB
SCHEMBL12171867 0.88 HSD17B1 (0.49) HSD17B1HSD17B2HDAC6MAOABLVRB
SCHEMBL4874528 0.87 CTRC (0.55) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL4876329 0.87 HSD17B1 (0.53) HSD17B1HSD17B2HDAC6NPC1RAB9A
SCHEMBL17612316 0.87 HSD17B1 (0.53) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL7217297 0.86 HSD17B1 (0.50) HSD17B1HSD17B2NPC1RAB9AL3MBTL1
SCHEMBL12171953 0.85 HSD17B1 (0.51) HSD17B1HSD17B2HDAC6MAOABLVRB
SCHEMBL12797829 0.85 MAOA (0.48) HSD17B1HSD17B2HDAC6MAOABLVRB
SCHEMBL12170945 0.84 HDAC1 (0.52) HSD17B1HSD17B2HDAC6NPC1RAB9A

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 HSD17B1 897/4885HSD17B2 1290/4885HDAC6 1665/4885

“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.