SCHEMBL994671

SCHEMBL994671

Nc1nc(-c2ccccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.44
CASP6 P55212 2/20 0.42
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
PRKACA P17612 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.42
PTPN1 P18031 1/20 0.41
EIF4E P06730 1/20 0.41
PARP1 P09874 1/20 0.41
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
ATR Q13535 1/20 0.38
MGMT P16455 1/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL9887058 0.82 TDP1 (0.54) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL13398588 0.82 HSD17B10 (0.47) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL28345012 0.82 CASP6 (0.42) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL14471468 0.82 HSP90AA1 (0.43) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL7014963 0.82 HSD17B10 (0.44) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL2312779 0.81 EIF4E (0.44) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL4059206 0.78 MEN1 (0.52) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL1582795 0.75 MPL (0.53) MPLPARP1GAAL3MBTL1ATR
SCHEMBL18376192 0.75 TDP1 (0.43) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL995894 0.74 CTSB (0.44) CASP6MEN1PSMD14PRKACAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912702-B2 Substituted pyridines as inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-02-27 US disclosed
EP-2125804-B1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-01-26 EP disclosed
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 US disclosed
EP-2125804-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZOÝ4,5-B¨PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS Almirall, S.A. (ES) 2009-12-02 EP disclosed
WO-2008080461-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-10 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-11912702-B2 Substituted pyridines as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC3 MPL 4540/4885CASP6 1904/4885MEN1 4765/4885
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MPL 690/4885CASP6 3643/4885MEN1 4035/4885

“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.