SCHEMBL13439840

SCHEMBL13439840

CC(=O)Nc1ccc(COc2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.50
MAOB P27338 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
AHR P35869 1/20 0.48
EPHX2 P34913 1/20 0.48
SOD1 P00441 1/20 0.48
FFAR1 O14842 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47

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
SCHEMBL13462941 0.82 MEN1 (0.61) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10440232 0.82 RXRA (0.63) MEN1KMT2ANR4A2NPC1RAB9A
SCHEMBL18614358 0.82 MEN1 (0.61) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL4639017 0.82 MEN1 (0.61) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13439714 0.81 NR4A2 (0.61) MEN1KMT2ANR4A1NR4A2NR4A3
SCHEMBL8458870 0.80 NR4A2 (0.76) NR4A1NR4A2NR4A3NPC1RAB9A
SCHEMBL4639013 0.80 MEN1 (0.63) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21497178 0.79 MAOB (0.71) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13761594 0.78 NR4A2 (0.56) NR4A1NR4A2NR4A3LMNAMAOB
SCHEMBL13192696 0.78 MTNR1B (0.62) MEN1KMT2ANPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 MEN1 3173/4885KMT2A 4568/4885NR4A1 1067/4885

“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.