SCHEMBL1424978

SCHEMBL1424978

CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.63
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
P2RY1 P47900 4/20 0.52
P2RY14 Q15391 1/20 0.50

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
SCHEMBL1424974 1.00 TRPV1 (0.63) TRPV1NPC1RAB9AALDH1A1MAPT
SCHEMBL3446184 0.86 NPC1 (0.60) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL3446182 0.86 NPC1 (0.60) NPC1RAB9AMAPTP2RY1P2RY14
SCHEMBL1425259 0.86 NPC1 (0.73) TRPV1NPC1RAB9AMAPTP2RY1
SCHEMBL1425261 0.86 NPC1 (0.73) TRPV1NPC1RAB9AMAPTP2RY1
SCHEMBL1425263 0.86 NPC1 (0.73) TRPV1NPC1RAB9AMAPTP2RY1
SCHEMBL3446453 0.85 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL3446447 0.85 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL3445074 0.85 NPC1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3445076 0.85 NPC1 (0.59) NPC1RAB9AMAPTMEN1KMT2A

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 TRPV1 431/4885NPC1 3584/4885RAB9A 2113/4885

“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.