SCHEMBL4868677

SCHEMBL4868677

CC(C)(C)OC(=O)c1ccc(Nc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.48
ROCK1 Q13464 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
SCHEMBL6093171 0.85 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HTTROCK1
SCHEMBL5720793 0.85 ABCB1 (0.54) ABCG2NPC1RAB9ASMN1; SMN2ROCK1
SCHEMBL28911671 0.83 NAMPT (0.50) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL4875132 0.82 RAB9A (0.49) ABCG2NPC1RAB9ASMN1; SMN2ROCK1
SCHEMBL25469660 0.78 ABCG2 (0.52) ABCG2
SCHEMBL4872174 0.77 HCAR3 (0.63) NPC1RAB9ASMN1; SMN2
SCHEMBL4876776 0.76 NPC1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL10837371 0.76 ROCK1 (0.59) NPC1RAB9AROCK1
SCHEMBL22452903 0.76 RAB9A (0.52) ABCG2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL17205695 0.75 ABCG2 (0.47) ABCG2NPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 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-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R ABCG2 3896/4885NPC1 4382/4885RAB9A 2219/4885

“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.