SCHEMBL4875219

SCHEMBL4875219

COC(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 6/20 0.67
HAVCR2 Q8TDQ0 3/20 0.57
TP53 P04637 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 6/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 2/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
S1PR1 P21453 1/20 0.50
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL61059 0.95 NPC1 (0.71) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL29215206 0.90 NPC1 (0.71) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL19131023 0.90 NPC1 (0.70) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL1429969 0.88 S1PR1 (0.63) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL19131314 0.86 NPC1 (0.65) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL3678380 0.85 MAPT (0.67) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL19132173 0.85 NPC1 (0.58) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL13427330 0.84 NPC1 (0.73) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL4875653 0.84 NPC1 (0.67) NPC1RAB9AHAVCR2TP53SMN1; SMN2
SCHEMBL19131267 0.83 S1PR1 (0.57) NPC1RAB9AHAVCR2TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US 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
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 (2 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-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 NPC1 732/4885RAB9A 2618/4885HAVCR2 3186/4885
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.