SCHEMBL1809935

SCHEMBL1809935

CCOC(=O)C(C)(C)Oc1ccc(Br)nc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.50
PPARA Q07869 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPARG P37231 1/20 0.39
S1PR4 O95977 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.37

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
SCHEMBL1396637 0.81 FBP1 (0.46) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL30253292 0.78 ALDH1A1 (0.48) CYP1A2CYP3A4NPC1MAPTRAB9A
SCHEMBL3072548 0.78 ALDH1A1 (0.48) CYP1A2CYP3A4NPC1MAPTRAB9A
SCHEMBL3786579 0.77 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL755761 0.74 FBP1 (0.55) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL9034807 0.73 FBP1 (0.56) FBP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16606886 0.72 CYP2C19 (0.41) FBP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL22493012 0.72 FBP1 (0.67) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL15488964 0.71 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL28908900 0.71 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS NANJING RUIJIE PHARMA CO., LTD. (CN) 2023-06-29 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FBP1 217/4885PPARA 252/4885ABCB11 4719/4885
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, LCK FBP1 1338/4885PPARA 4552/4885ABCB11 1954/4885

“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.