SCHEMBL2435955

SCHEMBL2435955

COc1cc(F)cc(O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
PKM P14618 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERN1 O75460 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
EGFR P00533 2/20 0.39
HTT P42858 2/20 0.39
BLM P54132 1/20 0.39
GALR2 O43603 1/20 0.39
MAPK1 P28482 1/20 0.39
SYK P43405 1/20 0.39
VCP P55072 1/20 0.39

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
SCHEMBL25187742 0.87 PKM (0.45) TTRPKMKDM4ETDP1POLB
SCHEMBL972269 0.82 PKM (0.41) TTRPKMKDM4ETDP1POLB
SCHEMBL68918 0.82 MAPT (0.45) TTRPKMKDM4ETDP1POLB
SCHEMBL19306636 0.81 TTR (0.44) TTRKDM4ETDP1MAPTALDH1A1
SCHEMBL5891799 0.81 CYP3A4 (0.50) PKMKDM4ETDP1POLBCTDSP1
SCHEMBL16052765 0.81 HTT (0.50) TTRPKMKDM4ETDP1POLB
SCHEMBL22118191 0.79 ERN1 (0.44) PKMKDM4ETDP1POLBCTDSP1
SCHEMBL1004753 0.79 PKM (0.61) TTRPKMKDM4ETDP1POLB
SCHEMBL20022338 0.76 TTR (0.66) TTRTDP1POLBL3MBTL1ERN1
SCHEMBL1680932 0.76 TTR (0.45) TTRKDM4ETDP1ERN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1144393-B1 BENZOXAZOLE DERIVATIVES FOR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
EP-1144393-A3 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-6441012-B1 BENZOXAZOLE OR BENZTHIAZOLE DERIVATIVES FOR INHIBITING THE INTERACTION BETWEEN CELLULAR ADHESION MOLECULES AND/OR FIBRONECTIN AND THE INTERGRIN RECEPTOR ASTRAZENECA AB (SE) 2002-08-27 US disclosed
EP-1144393-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2001-10-17 EP disclosed
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed
WO-2000005224-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR ASTRAZENECA AB (SE) 2000-02-03 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 TTR 958/4885PKM 4697/4885KDM4E 1271/4885
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS KCNJ2, KCNQ2, KCNQ1 TTR 3380/4885PKM 1021/4885KDM4E 245/4885

“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.