SCHEMBL68857

SCHEMBL68857

O=[N+]([O-])c1c(Cl)cccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
S100A4 P26447 1/20 0.39

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
SCHEMBL3818387 0.86 ALDH1A1 (0.46) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL11158851 0.86 USP7 (0.41) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL14228218 0.83 ALDH1A1 (0.45) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL69094 0.83 TSHR (0.53) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL28324925 0.82 TSHR (0.38) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL68734 0.81 MAPT (0.41) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL20476793 0.81 IDO1 (0.41) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL4146537 0.81 PNMT (0.53) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL11095518 0.81 HPGD (0.55) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL11037768 0.81 AKR1B1 (0.50) CYP3A4CYP2D6CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN claimed
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN disclosed
CN-107512810-A Method of wastewater treatment after a kind of nitro-chlorobenzene production 安徽东至广信农化有限公司 2017-12-26 CN disclosed
WO-2017156218-A1 METHOD OF MAKING POLYNUCLEOTIDES USING CLOSED-LOOP VERIFICATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-14 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-102439005-B Novel substituted indazole and aza-indazole derivatives as gamma secretase modulators JANSSEN PHARMACEUTICALS INC 2015-07-22 CN disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
EP-2427453-B1 SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-07-17 EP disclosed
CN-101219955-B Method for synthesizing o-nitrobenzaldehyde compounds SHANGHAI CHEMPARTNER CO LTD 2013-05-15 CN disclosed
EP-1865379-B1 Method for resist pattern formation, and process for device prodution CANON KK (JP) 2013-01-16 EP disclosed
US-20090311637-A1 BLOCK COPOLYMER AND SUBSTRATE PROCESSING METHOD CANON KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
CN-101219955-A Method for synthesizing o-nitrobenzaldehyde compounds SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN disclosed
US-20070287105-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, METHOD FOR RESIST PATTERN FORMATION, AND PROCESS FOR DEVICE PRODUCTION CANON KABUSHIKI KAISHA (JP) 2007-12-13 US disclosed
EP-1865379-A1 Photosensitive compound, photosensitive composition, method for resist pattern formation, and process for device prodution Canon Kabushiki Kaisha (JP) 2007-12-12 EP disclosed
CN-101086618-A Photosensitive compound, photosensitive composition, method for resist pattern formation, and process for elements production CANON KK (JP) 2007-12-12 CN disclosed
CN-1301154-C Regenerable hydrogenation catalyst and method for producing the same UNIV NORTHEAST NORMAL (CN) 2007-02-21 CN disclosed
CN-1504259-A Regenerable hydrogenation catalyst and method for producing the same 东北师范大学 2004-06-16 CN disclosed
EP-0028609-B1 USE OF CHLORONITROPHENYL DERIVATIVES AS SELECTIVE HERBICIDES AND NEW CHLORONITROPHENYL DERIVATIVES SIEGFRIED AKTIENGESELLSCHAFT (CH) 1983-07-27 EP disclosed
EP-0028609-A1 Use of chloronitrophenyl derivatives as selective herbicides and new chloronitrophenyl derivatives. SIEGFRIED AG (CH) 1981-05-20 EP disclosed
WO-1980002493-A1 HERBICIDES SIEGFRIED AG (CH) 1980-11-27 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 (1 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-20070287105-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, METHOD FOR RESIST PATTERN FORMATION, AND PROCESS FOR DEVICE PRODUCTION RER1, C1R, CRY2 ALDH1A1 2569/4885TSHR 1221/4885GRIN2D 2160/4885

“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.