SCHEMBL1425263

SCHEMBL1425263

CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)/C=C/c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
MAPT P10636 1/20 0.73
P2RY1 P47900 15/20 0.66
P2RY14 Q15391 2/20 0.60
EGFR P00533 2/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL1425261 1.00 NPC1 (0.73) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1425259 1.00 NPC1 (0.73) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1425101 0.94 NPC1 (0.65) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1425097 0.94 NPC1 (0.65) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1424519 0.92 NPC1 (0.62) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1424516 0.92 NPC1 (0.62) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1424955 0.90 NPC1 (0.61) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1424957 0.90 NPC1 (0.61) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL3446184 0.90 NPC1 (0.60) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL3445807 0.90 NPC1 (0.60) NPC1RAB9AMAPTP2RY1P2RY14

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-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US claimed
EP-1896417-B1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-03-23 EP disclosed
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R NPC1 3584/4885RAB9A 2113/4885MAPT 1056/4885

“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.