SCHEMBL68734

SCHEMBL68734

O=[N+]([O-])c1c(Cl)cccc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL2027979 0.86 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HPGDCYP3A4
SCHEMBL14228218 0.83 ALDH1A1 (0.45) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL69094 0.83 TSHR (0.53) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL4146537 0.81 PNMT (0.53) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL20476793 0.81 IDO1 (0.41) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL68857 0.81 ALDH1A1 (0.43) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL11090838 0.81 HPGD (0.59) MAPTMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL670917 0.80 TSHR (0.58) MAPK1ALDH1A1TSHRTDP1GRIN2D
SCHEMBL16310260 0.79 TDP1 (0.45) MAPTALDH1A1TSHRTDP1GRIN2D
SCHEMBL1167739 0.79 TSHR (0.53) ALDH1A1TSHRTDP1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865379-B1 Method for resist pattern formation, and process for device prodution CANON KK (JP) 2013-01-16 EP disclosed
CN-101086618-B Photosensitive compound, photosensitive composition, method for resist pattern formation, and process for elements production CANON KK 2012-06-20 CN disclosed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-8163730-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-04-24 US disclosed
US-8129087-B2 Block copolymer and substrate processing method CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-7964631-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-α PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-23 US disclosed
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-02 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-7834052-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 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
EP-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO disclosed
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO disclosed
US-6869960-B2 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. (US) 2005-03-22 US disclosed
EP-1470126-A1 N-SUBSTITUTED SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-10-27 EP disclosed
US-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor ITO FUMITAKA (JP) 2003-08-21 US disclosed
WO-2003064425-A1 N-SUBSTITUTED SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER JAPAN INC. (JP) 2003-08-07 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-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 MAPT 4579/4885MAPK1 3412/4885L3MBTL1 1993/4885
US-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor OGFRL1, OXER1, ORMDL3 MAPT 4709/4885MAPK1 151/4885L3MBTL1 1797/4885
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 MAPT 4666/4885MAPK1 3492/4885L3MBTL1 1610/4885

“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.