SCHEMBL309683

SCHEMBL309683

CC(C)COc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
MYC P01106 2/20 0.52
MAX P61244 2/20 0.52
HTT P42858 2/20 0.51
AR P10275 1/20 0.51
PELP1 Q8IZL8 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
EP300 Q09472 1/20 0.47
HIF1A Q16665 1/20 0.47
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
XDH P47989 1/20 0.43
MAPK1 P28482 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
SCHEMBL20610599 0.86 ALDH1A1 (0.50) ALDH1A1MAPTHTTTDP1ATM
SCHEMBL1341197 0.83 L3MBTL1 (0.60) ALDH1A1MAPTMYCMAXAR
SCHEMBL310522 0.83 MAPT (0.57) ALDH1A1MAPTHTTTDP1ATM
SCHEMBL12040956 0.82 MYC (0.52) MAPTMYCMAXARPELP1
SCHEMBL1341846 0.81 RAB9A (0.66) ALDH1A1MAPTHTTTDP1L3MBTL1
SCHEMBL12059549 0.81 AR (0.53) ALDH1A1MAPTMYCMAXAR
SCHEMBL3514013 0.80 MAPT (0.53) ALDH1A1MAPTHTTTDP1ATM
SCHEMBL2369186 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHTTTDP1ATM
SCHEMBL1038678 0.80 TDP1 (0.53) ALDH1A1MAPTHTTTDP1ATM
SCHEMBL12040911 0.79 MYC (0.50) ALDH1A1MAPTMYCMAXHTT

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-20170275299-A1 PREPARATION METHOD FOR BENZOXAZOLEOXAZINE KETONE COMPOUND AND INTERMEDIATE AND CRYSTAL FORM THEREOF NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. (CN) 2017-09-28 US disclosed
EP-3199536-A1 PREPARATION METHOD FOR BENZOXAZOLEOXAZINE KETONE COMPOUND AND INTERMEDIATE AND CRYSTAL FORM THEREOF North China Pharmaceutical New Drug R&D Co., Ltd. (DE) 2017-08-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP 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
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 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 (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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885MAPT 2367/4885MYC 1980/4885
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 ALDH1A1 4806/4885MAPT 177/4885MYC 1234/4885
US-20170275299-A1 PREPARATION METHOD FOR BENZOXAZOLEOXAZINE KETONE COMPOUND AND INTERMEDIATE AND CRYSTAL FORM THEREOF CYP4F11, CYP51A1, CYP2F1 ALDH1A1 870/4885MAPT 1877/4885MYC 4385/4885

“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.