SCHEMBL4493009

SCHEMBL4493009

CCOC(=O)c1cc2ccc([N+](=O)[O-])cc2n2nnnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 8/20 0.45
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 3/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
CTRB1 P17538 2/20 0.41
GAA P10253 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4498593 0.83 MAPT (0.45) SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4497309 0.82 ADORA3 (0.47) SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL14209188 0.81 MEN1 (0.47) SMN1; SMN2ALDH1A1MAPTNOD2NOD1
SCHEMBL4504079 0.80 CACNA1B (0.45) SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL4182026 0.75 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MITFMAPTHTT
SCHEMBL7878190 0.72 NOD2 (0.57) SMN1; SMN2ALDH1A1MITFMAPTNOD2
SCHEMBL4510611 0.72 KDM4E (0.45) SMN1; SMN2ALDH1A1MAPTL3MBTL1ELANE
SCHEMBL4489203 0.72 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL4500744 0.71 CSNK1D (0.39) SMN1; SMN2ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL7723906 0.71 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 SMN1; SMN2 4478/4885ALDH1A1 874/4885MITF 4193/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 SMN1; SMN2 4478/4885ALDH1A1 874/4885MITF 4193/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4606/4885ALDH1A1 2575/4885MITF 4461/4885

“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.