SCHEMBL5034812

SCHEMBL5034812

COc1ccc(Nc2nc3ccc4c(c3[nH]2)OCCO4)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 17/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HRAS P01112 1/20 0.31
KRAS P01116 1/20 0.31

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
SCHEMBL5030660 0.86 P2RY1 (0.48) P2RY1
SCHEMBL5034799 0.84 HDAC11 (0.40) P2RY1NPC1LMNATP53MAPT
SCHEMBL5030524 0.82 NPC1 (0.37) P2RY1NPC1LMNATP53MAPT
SCHEMBL5043645 0.82 NPC1 (0.37) P2RY1NPC1LMNATP53MAPT
SCHEMBL5043399 0.81 NPC1 (0.40) P2RY1NPC1LMNATP53MAPT
SCHEMBL5031492 0.79 NPC1 (0.39) P2RY1NPC1LMNATP53MAPT
SCHEMBL5043962 0.77 RAB9A (0.44) P2RY1NPC1LMNATP53MAPT
SCHEMBL1306719 0.77 CSNK1D (0.47) P2RY1NPC1LMNATP53MAPT
SCHEMBL6481602 0.77 RAB9A (0.45) P2RY1NPC1LMNATP53MAPT
SCHEMBL5039260 0.75 LMNA (0.42) P2RY1NPC1LMNATP53MAPT

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-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US claimed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US claimed

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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 P2RY1 1/4885NPC1 2726/4885LMNA 4150/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 P2RY1 1/4885NPC1 3594/4885LMNA 4134/4885

“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.