SCHEMBL2187432

SCHEMBL2187432

COc1cc(COC(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL12508538 0.84 EPHX1 (0.51) EPHX1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2200272 0.83 EPHX1 (0.56) EPHX1ALDH1A1NPC1RAB9A
SCHEMBL6331846 0.82 EPHX1 (0.50) EPHX1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4916180 0.81 EPHX1 (0.57) EPHX1ALDH1A1NPC1RAB9A
SCHEMBL1357850 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL12582224 0.80 RAB9A (0.51) ALDH1A1SMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL27501559 0.79 RAB9A (0.50) ALDH1A1SMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL1357848 0.79 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL13020964 0.79 EPHX1 (0.62) EPHX1ALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL793387 0.79 EPHX1 (0.62) EPHX1ALDH1A1SMN1; SMN2L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6345711-A None JP disclosed
US-20170293225-A1 PHOTOSENSITIVE RESIN COMPOSITION AND CURED PRODUCT THEREOF TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-12 US disclosed
US-9377685-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2016-06-28 US disclosed
US-9377685-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2016-06-28 US disclosed
US-20130078572-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-03-28 US disclosed
US-20130078572-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-03-28 US disclosed
US-20110172421-A1 N-(alpha-AROMATIC GROUP-SUBSTITUTED-2-NITRO-4,5-DIALKOXYBENZYLOXYCARBONYL)AMINE COMPOUND AND PROCESS FOR PRODUCING THE SAME SHOWA DENKO K.K. (JP) 2011-07-14 US disclosed
US-20090305437-A1 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE CAMBRIOS TECHNOLOGIES CORPORATION (US) 2009-12-10 US disclosed
WO-2007103539-A2 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE CAMBRIOS TECHNOLOGIES CORPORATION (US) 2007-09-13 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-6045977-A COATING AN INTEGRATED CIRCUITS WITH A SOLUTION COMPRISING POLYANILINE AND AN ADDITIVE DISSOLVED IN A SOLVENT, THE ADDITIVE DISSOCIATES AND FORMS A POLYANILINE SALT LUCENT TECHNOLOGIES INC. (US) 2000-04-04 US disclosed
JP-H06345711-A (((2-NITRO-4, 5-DIMETHOXYBENZYL) OXY)CARBONYL)CYCLOHEXYLAMINE AND METHOD FOR UTILIZING THE SAME AIBAITSU KK 1994-12-20 JP 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-20110172421-A1 N-(alpha-AROMATIC GROUP-SUBSTITUTED-2-NITRO-4,5-DIALKOXYBENZYLOXYCARBONYL)AMINE COMPOUND AND PROCESS FOR PRODUCING THE SAME NME2, DAO, NMBR EPHX1 1377/4885ALDH1A1 982/4885SMN1; SMN2 4414/4885
US-20090305437-A1 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE ILK, ECPAS, STUB1 EPHX1 2467/4885ALDH1A1 3671/4885SMN1; SMN2 2238/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 EPHX1 504/4885ALDH1A1 2036/4885SMN1; SMN2 1477/4885

“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.