SCHEMBL4331874

SCHEMBL4331874

COC(=O)c1nc2ccc([N+](=O)[O-])cn2c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 7/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSPO P30536 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
F2 P00734 3/20 0.42
PLAU P00749 3/20 0.42
ELANE P08246 3/20 0.42
CTRB1 P17538 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL9923995 0.81 KDM4E (0.74) ALDH1A1SMN1; SMN2KDM4ERAB9AGAA
SCHEMBL15900327 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL16460648 0.79 KDM4E (0.62) ALDH1A1SMN1; SMN2KDM4ERAB9AGAA
SCHEMBL4311317 0.78 MAPT (0.57) ALDH1A1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL4475711 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL4315960 0.76 MAPT (0.49) ALDH1A1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL9893328 0.76 KDM4E (0.54) ALDH1A1SMN1; SMN2KDM4ERAB9AHSD17B10
SCHEMBL4316016 0.76 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL16461864 0.76 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4ERAB9AGAA
SCHEMBL21001635 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 EP 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 ALDH1A1 920/4885SMN1; SMN2 2443/4885KDM4E 1794/4885
US-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R ALDH1A1 1277/4885SMN1; SMN2 2050/4885KDM4E 1967/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR ALDH1A1 1755/4885SMN1; SMN2 2642/4885KDM4E 1819/4885

“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.