SCHEMBL2875413

SCHEMBL2875413

O=C(Nc1ccccc1)Nc1ccccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.71
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
TRPV1 Q8NER1 1/20 0.48
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
CHEK1 O14757 1/20 0.47
KDR P35968 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.46
CDK9 P50750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
GRIK1 P39086 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
SCHEMBL13437657 0.91 P2RY1 (0.71) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2880008 0.90 P2RY1 (0.69) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13019011 0.89 NPC1 (0.61) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13063448 0.88 P2RY1 (0.61) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13078478 0.87 P2RY1 (0.60) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2877205 0.87 P2RY1 (0.69) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2878288 0.84 P2RY1 (1.00) P2RY1RAB9ANPC1MAPTMEN1
SCHEMBL13019012 0.84 P2RY1 (0.62) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL11724397 0.82 PARP14 (0.55) P2RY1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL11726409 0.82 P2RY1 (0.56) P2RY1RAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
EP-1998746-A2 LIPOPHILIC PERSONAL CARE COMPOSITION The Procter & Gamble (US) 2008-12-10 EP disclosed
EP-1901812-A1 LIPOPHILIC PERSONAL CARE COMPOSITION The Procter and Gamble Company (US) 2008-03-26 EP disclosed
EP-1899299-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2008-03-19 EP disclosed
WO-2007102125-A2 LIPOPHILIC PERSONAL CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 WO disclosed
US-20070207103-A1 Lipophilic personal care composition THE PROCTER & GAMBLE COMPANY 2007-09-06 US disclosed
WO-2007007250-A1 LIPOPHILIC PERSONAL CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2007-01-18 WO disclosed
US-20070009457-A1 Lipophilic personal care composition THE PROCTER & GAMBLE COMPANY 2007-01-11 US disclosed
WO-2007002635-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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 (3 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-20070207103-A1 Lipophilic personal care composition CUTA, PLIN3, PLIN5 P2RY1 1504/4885RAB9A 4543/4885NPC1 563/4885
US-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY11, P2RY1, P2RY13 P2RY1 2/4885RAB9A 3132/4885NPC1 3676/4885
US-20070009457-A1 Lipophilic personal care composition HACD3, LIPA, PLOD3 P2RY1 4610/4885RAB9A 4169/4885NPC1 45/4885

“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.