SCHEMBL6481602

SCHEMBL6481602

COc1ccc2nc(Nc3ccc(OC)nc3Oc3ccccc3C(C)(C)C)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.42
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 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
SCHEMBL5039062 0.92 RAB9A (0.44) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL5043962 0.90 RAB9A (0.44) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL1306719 0.90 CSNK1D (0.47) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL5039014 0.88 CSNK1D (0.54) RAB9ATP53NPC1LMNAMAPT
SCHEMBL5039260 0.87 LMNA (0.42) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL5046858 0.86 P2RY1 (0.52) RAB9ATP53NPC1LMNAMAPT
SCHEMBL5039245 0.86 NPC1 (0.42) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL5047148 0.86 NPC1 (0.42) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL5044762 0.86 LMNA (0.43) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL5410922 0.85 ABL1 (0.52) RAB9ATP53SMN1; SMN2NPC1LMNA

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
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP claimed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US claimed
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP disclosed
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-28 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 (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 RAB9A 2199/4885TP53 4316/4885SMN1; SMN2 3860/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS RAB9A 1996/4885TP53 1894/4885SMN1; SMN2 3835/4885

“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.