SCHEMBL5034799

SCHEMBL5034799

COc1ccc(Nc2nc3cc4c(cc3[nH]2)OCCO4)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RY1 P47900 12/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CSNK1E P49674 1/20 0.33
CSNK1G3 Q9Y6M4 1/20 0.33
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
KLK7 P49862 1/20 0.32
KLK14 Q9P0G3 1/20 0.32

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
SCHEMBL5031492 0.95 NPC1 (0.39) HDAC11NPC1MAPTLMNATP53
SCHEMBL5039260 0.86 LMNA (0.42) NPC1MAPTLMNATP53RAB9A
SCHEMBL5034836 0.85 P2RY1 (0.49) P2RY1
SCHEMBL5039245 0.85 NPC1 (0.42) HDAC11NPC1MAPTLMNATP53
SCHEMBL5047148 0.85 NPC1 (0.42) HDAC11NPC1MAPTLMNATP53
SCHEMBL5034812 0.84 P2RY1 (0.34) NPC1MAPTLMNATP53RAB9A
SCHEMBL6481602 0.83 RAB9A (0.45) NPC1MAPTLMNATP53RAB9A
SCHEMBL5048567 0.83 NPC1 (0.44) NPC1MAPTLMNATP53RAB9A
SCHEMBL5039062 0.83 RAB9A (0.44) NPC1MAPTLMNATP53RAB9A
SCHEMBL5043962 0.83 RAB9A (0.44) NPC1MAPTLMNATP53RAB9A

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 HDAC11 2962/4885NPC1 2726/4885MAPT 4134/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 HDAC11 2832/4885NPC1 3594/4885MAPT 4033/4885

“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.