SCHEMBL4865589

SCHEMBL4865589

COCCOc1ccc(-c2noc(-c3cccc(C(N)=O)c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HAVCR2 Q8TDQ0 12/20 0.52
CHEK2 O96017 2/20 0.48
CHEK1 O14757 1/20 0.48
FYN P06241 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4876056 0.90 NPC1 (0.56) NPC1RAB9AHAVCR2CYP3A4MAPT
SCHEMBL19131014 0.80 S1PR1 (0.58) NPC1RAB9AHAVCR2CYP3A4MAPT
SCHEMBL12172008 0.80 S1PR1 (0.60) NPC1RAB9AHAVCR2MAPTKMT2A
SCHEMBL4875581 0.77 NPC1 (0.54) NPC1RAB9AHAVCR2MAPTHSD17B10
SCHEMBL6193033 0.77 HAVCR2 (0.60) NPC1RAB9AHAVCR2MAPTHSD17B10
SCHEMBL14072336 0.76 NPC1 (0.61) NPC1RAB9AHAVCR2MAPTSMN1; SMN2
SCHEMBL1430178 0.76 NR1H4 (0.68) NPC1RAB9AHAVCR2CYP3A4MAPT
SCHEMBL61028 0.75 NPC1 (0.60) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL1429969 0.75 S1PR1 (0.63) NPC1RAB9AHAVCR2CYP3A4MAPT
SCHEMBL202628 0.74 PARP1 (0.65) CHEK2CHEK1KMT2A

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 2 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

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 2603/4885HAVCR2 2062/4885

“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.