SCHEMBL2969148

SCHEMBL2969148

O=C(O)c1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HPSE Q9Y251 1/20 0.53
HSPB1 P04792 3/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
AKR1C3 P42330 1/20 0.50
PYGL P06737 1/20 0.49
MAPT P10636 3/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TTR P02766 1/20 0.47
SERPINE1 P05121 1/20 0.47
NR4A2 P43354 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
F10 P00742 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2955043 0.89 HSPB1 (0.50) HPSEHSPB1PYGLMAPTPAX8
SCHEMBL10594864 0.87 KDM4E (0.62) KDM4EHPSEMRGPRX4AKR1C3MAPT
SCHEMBL1341586 0.86 ALDH1A1 (0.57) HSPB1MRGPRX4PYGLMAPTPAX8
SCHEMBL28256432 0.86 KDM4E (0.69) KDM4EHPSEHSPB1MRGPRX4AKR1C3
SCHEMBL2962096 0.85 L3MBTL1 (0.48) HPSEHSPB1MAPTPAX8SMN1; SMN2
SCHEMBL2966318 0.85 MRGPRX4 (0.67) KDM4EHPSEMRGPRX4AKR1C3MAPT
SCHEMBL10662277 0.84 LMNA (0.61) KDM4EHPSEMRGPRX4AKR1C3PYGL
SCHEMBL2970880 0.83 SMN1; SMN2 (0.49) KDM4EHSPB1MAPTPAX8SMN1; SMN2
SCHEMBL1638040 0.83 HSPB1 (0.66) HPSEHSPB1MAPTCRHBPCRHR2
SCHEMBL31090823 0.83 HSPB1 (0.66) HPSEHSPB1MAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
EP-1784390-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES Amgen Inc. (US) 2007-05-16 EP disclosed
US-20060199796-A1 Substituted benzofused heterocycles AMGEN INC. (US) 2006-09-07 US disclosed
WO-2006020959-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES AMGEN INC. (US) 2006-02-23 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 (3 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885HPSE 65/4885HSPB1 2200/4885
US-20060199796-A1 Substituted benzofused heterocycles GPR119, SDHA, OGDH KDM4E 343/4885HPSE 1783/4885HSPB1 3323/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885HPSE 65/4885HSPB1 2200/4885

“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.