SCHEMBL3159784

SCHEMBL3159784

O=C(Nc1cccc2c1CCN(C(=O)c1ccccc1)C2)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.57
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NAMPT P43490 5/20 0.50
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.46
TMPRSS2 O15393 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL11735100 0.83 CARM1 (0.61) CARM1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL3163275 0.80 HPGD (0.53) NAMPTALDH1A1KMT2AMEN1HPGD
SCHEMBL10211721 0.79 HPGD (0.56) NAMPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL28739037 0.79 ABHD6 (0.55) KDM4ENAMPTALDH1A1HPGDSMN1; SMN2
SCHEMBL29644341 0.79 ABHD6 (0.55) KDM4ENAMPTALDH1A1HPGDSMN1; SMN2
SCHEMBL28987534 0.76 L3MBTL1 (0.72) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL6054998 0.76 L3MBTL1 (0.76) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL13051864 0.76 HPGD (0.50) NAMPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL4279383 0.76 HPGD (0.73) NAMPTALDH1A1KMT2AMEN1HPGD
SCHEMBL30277860 0.76 HPGD (0.73) NAMPTALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 CARM1 4131/4885KDM4E 3641/4885L3MBTL1 4624/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 CARM1 4131/4885KDM4E 3641/4885L3MBTL1 4624/4885

“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.