SCHEMBL3305644

SCHEMBL3305644

COc1cc(Br)ccc1CC(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
CCR3 P51677 1/20 0.42
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
ABCB1 P08183 6/20 0.40
KMT2A Q03164 2/20 0.39
OXTR P30559 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
PDE4B Q07343 1/20 0.38
NAAA Q02083 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3305638 1.00 KDM4E (0.45) KDM4EALDH1A1CSNK2BCSNK2A1CACNA1C
SCHEMBL16307001 0.92 KDM4E (0.49) KDM4EALDH1A1CSNK2BCSNK2A1CACNA1C
SCHEMBL16307073 0.92 KDM4E (0.49) KDM4EALDH1A1CSNK2BCSNK2A1CACNA1C
SCHEMBL4510525 0.88 SIGMAR1 (0.47) KDM4EALDH1A1CSNK2BCSNK2A1CCR3
SCHEMBL4685201 0.88 SIGMAR1 (0.47) KDM4EALDH1A1CSNK2BCSNK2A1CCR3
SCHEMBL4515994 0.88 SIGMAR1 (0.47) KDM4EALDH1A1CSNK2BCSNK2A1CCR3
SCHEMBL3308822 0.87 NAAA (0.41) CSNK2BCSNK2A1CCR3NAAATDP1
SCHEMBL3308816 0.87 NAAA (0.41) CSNK2BCSNK2A1CCR3NAAATDP1
SCHEMBL8164149 0.87 NAAA (0.40) KDM4EALDH1A1CSNK2BCSNK2A1CCR3
SCHEMBL16737997 0.87 NAAA (0.41) CSNK2BCSNK2A1CCR3NAAATDP1

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
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
EP-2102176-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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 (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-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 KDM4E 2592/4885ALDH1A1 4067/4885CSNK2B 718/4885

“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.