SCHEMBL310163

SCHEMBL310163

COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 9/20 0.58
SIRT6 Q8N6T7 1/20 0.58
CYP2C9 P11712 2/20 0.51
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IGF1R P08069 1/20 0.43
PLK1 P53350 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL309831 0.89 SIRT6 (0.72) ALDH1A1LMNAMAPTSIRT6CYP2C9
SCHEMBL519977 0.89 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSIRT6CYP2C9
SCHEMBL310510 0.89 MAPT (0.62) ALDH1A1LMNAMAPTSIRT6CYP2C9
SCHEMBL375616 0.87 SIRT6 (0.77) ALDH1A1LMNAMAPTSIRT6KMT2A
SCHEMBL520231 0.87 ALDH1A1 (0.76) ALDH1A1LMNAMAPTSIRT6CYP2C9
SCHEMBL26043874 0.87 ALDH1A1 (0.72) ALDH1A1LMNAMAPTSIRT6CYP2C9
SCHEMBL311491 0.85 ALDH1A1 (0.74) ALDH1A1LMNAMAPTSIRT6CYP2C9
SCHEMBL309645 0.85 SIRT6 (0.55) ALDH1A1LMNAMAPTSIRT6KMT2A
SCHEMBL14406661 0.85 SIRT6 (0.56) ALDH1A1LMNAMAPTSIRT6CYP2C9
SCHEMBL311063 0.84 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSIRT6KMT2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALDH1A1 214/4885LMNA 1889/4885MAPT 2815/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885MAPT 2367/4885

“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.