SCHEMBL4865429

SCHEMBL4865429

COCCOc1ccc(-c2cc(-c3cccc(C(=O)O)c3)on2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 8/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
PTPN1 P18031 2/20 0.47
SMPD1 P17405 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PTPN11 Q06124 1/20 0.45

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
SCHEMBL6190547 0.89 CXCR1 (0.52) CXCR1NPC1RAB9AABCB1ABCC1
SCHEMBL12171605 0.86 NPC1 (0.69) NPC1RAB9AABCB1ABCC1MAPT
SCHEMBL4876081 0.86 CXCR1 (0.46) CXCR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6132946 0.84 CXCR1 (0.56) CXCR1NPC1RAB9AABCB1ABCC1
SCHEMBL6132835 0.84 CXCR1 (0.56) CXCR1NPC1RAB9AABCB1ABCC1
SCHEMBL4876056 0.83 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4875235 0.83 CXCR1 (0.44) CXCR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12798225 0.83 NPC1 (0.71) NPC1RAB9AABCB1ABCC1MAPT
SCHEMBL12171974 0.80 ALDH1A1 (0.70) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL12171608 0.80 NPC1 (0.67) NPC1RAB9AABCB1ABCC1MAPT

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 CXCR1 261/4885NPC1 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.