SCHEMBL5044762

SCHEMBL5044762

COC(=O)c1ccc2nc(Nc3ccc(OC)nc3Oc3ccccc3C(C)(C)C)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
ABL1 P00519 3/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 2/20 0.41
KDR P35968 2/20 0.41
ABCC4 O15439 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 2/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL5402245 0.93 P2RY1 (0.42) LMNAALDH1A1HTTNPC1TP53
SCHEMBL5410922 0.91 ABL1 (0.52) LMNAALDH1A1HTTNPC1TP53
SCHEMBL1306603 0.87 P2RY1 (0.49) P2RY1
SCHEMBL6481602 0.86 RAB9A (0.45) LMNAALDH1A1KDM4ENPC1TP53
SCHEMBL1306719 0.86 CSNK1D (0.47) LMNAALDH1A1IRAK4NPC1TP53
SCHEMBL5043962 0.86 RAB9A (0.44) LMNAALDH1A1HTTNPC1TP53
SCHEMBL5039014 0.84 CSNK1D (0.54) LMNANPC1TP53MAPTRAB9A
SCHEMBL5039260 0.83 LMNA (0.42) LMNAALDH1A1HTTNPC1TP53
SCHEMBL5047148 0.83 NPC1 (0.42) LMNAALDH1A1NPC1TP53MAPT
SCHEMBL5039245 0.83 NPC1 (0.42) LMNAALDH1A1NPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP claimed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US claimed
JP-2007518809-A 2007-07-12 JP claimed
EP-1706398-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2006-10-04 EP claimed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US claimed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 WO claimed
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP 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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 LMNA 4150/4885ALDH1A1 1996/4885HTT 2979/4885

“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.