SCHEMBL2526416

SCHEMBL2526416

O=C(O)c1c(Br)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TTR P02766 2/20 0.40
CASP6 P55212 1/20 0.40
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
DTYMK P23919 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2895332 0.81 CASP6 (0.53) CA1CA2TTRCASP6TSHR
SCHEMBL21749958 0.81 CA1 (0.49) CA1CA2TDP1CYP1A2CYP2C9
SCHEMBL29785153 0.79 CA1 (0.47) CA1CA2TDP1CYP1A2CYP2C9
SCHEMBL27695049 0.79 CA1 (0.47) CA1CA2TDP1CYP1A2CYP2C9
SCHEMBL18496986 0.77 ATM (0.48) TDP1CYP1A2TTRATMALDH1A1
SCHEMBL103118 0.77 TTR (0.50) CA1CA2TDP1CYP1A2CYP2C9
SCHEMBL16636901 0.76 CA1 (0.47) CA1CA2TDP1CYP1A2CYP2C9
SCHEMBL4017658 0.76 AKR1C2 (0.44) TDP1TTRCASP6ATMTSHR
SCHEMBL2132590 0.76 TDP1 (0.44) TDP1CYP1A2L3MBTL1TTRATM
SCHEMBL29617721 0.76 TDP1 (0.44) TDP1CYP1A2L3MBTL1TTRATM

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 10 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-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
CN-101631784-A Bicyclic lactam factor VIIA inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO 2010-01-20 CN disclosed
CN-101611019-A The big ring serum prothrombin conversion accelerator (SPCA) a inhibitor that can be used as anticoagulant BRISTOL MYERS SQUIBB CO (US) 2009-12-23 CN disclosed
EP-2102176-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
EP-2099783-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
WO-2008079759-A1 BICYCLIC LACTAM 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 (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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 CA1 1887/4885CA2 2807/4885TDP1 3824/4885
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 CA1 3393/4885CA2 3344/4885TDP1 3255/4885

“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.