SCHEMBL3867050

SCHEMBL3867050

CC(Cc1ccc(Br)cc1)OC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL3860997 0.88 CTSL (0.47) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3861463 0.86 LMNA (0.44) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3857891 0.78 MGLL (0.54) LMNASIRT2KMT2AALDH1A1MAPT
SCHEMBL19563331 0.78 MEN1 (0.66) KMT2AALDH1A1MAPTMEN1RAB9A
SCHEMBL3857279 0.77 ABCC9 (0.39) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL3863337 0.75 LMNA (0.44) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3868137 0.74 CA12 (0.51) LMNAPDK1PDK2PDK3PDK4
SCHEMBL4598556 0.73 MAPT (0.62) LMNAPDK1PDK2PDK3PDK4
SCHEMBL10912953 0.73 CTSK (0.52) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL4607143 0.73 PDK1 (0.49) LMNAPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 LMNA 217/4885PDK1 3126/4885PDK2 3881/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 LMNA 217/4885PDK1 3126/4885PDK2 3881/4885

“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.