SCHEMBL9397233

SCHEMBL9397233

O=[N+]([O-])c1cc(OBOc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
RAF1 P04049 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
MERTK Q12866 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL14920998 0.86 MAPK1 (0.56) VCAM1MAPK1ALDH1A1LMNARAF1
SCHEMBL1318602 0.83 ALDH1A1 (0.50) MAPK1ALDH1A1LMNAMAPTTDP1
SCHEMBL12903344 0.81 VCAM1 (0.53) VCAM1MAPK1ALDH1A1LMNARAF1
SCHEMBL541479 0.80 ALDH1A1 (0.68) VCAM1MAPK1ALDH1A1LMNARAF1
SCHEMBL31362162 0.80 VCAM1 (0.51) VCAM1MAPK1ALDH1A1LMNARAF1
SCHEMBL177217 0.79 ALDH1A1 (0.53) MAPK1ALDH1A1LMNAMAPTHPGD
SCHEMBL15591962 0.77 VCAM1 (0.57) VCAM1MAPK1ALDH1A1LMNARAF1
SCHEMBL8755086 0.77 MAPT (0.49) VCAM1MAPK1ALDH1A1LMNARAF1
SCHEMBL9734010 0.76 VCAM1 (0.54) VCAM1MAPK1ALDH1A1LMNARAF1
SCHEMBL1128959 0.76 VCAM1 (0.53) VCAM1MAPK1ALDH1A1LMNARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016195-A1 CHEMILUMINESCENT ENHANCERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-08-19 WO claimed
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 EP disclosed
US-10597375-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2020-03-24 US disclosed
EP-3243515-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-10-16 EP disclosed
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2018-09-13 US disclosed
US-10000463-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2018-06-19 US disclosed
US-9981918-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-05-29 US disclosed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 EP disclosed
EP-3243515-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-11-15 EP disclosed
EP-2750677-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2017-03-22 EP disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US disclosed
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US disclosed
EP-2940013-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE Industries, Ltd. (JP) 2015-11-04 EP disclosed
EP-2750677-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP disclosed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO disclosed
WO-1994023060-A2 ENHANCEMENT OF CHEMILUMINESCENT REACTIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-10-13 WO disclosed
WO-1993016195-A1 CHEMILUMINESCENT ENHANCERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-08-19 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 (5 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 VCAM1 1860/4885MAPK1 932/4885ALDH1A1 1997/4885
US-10000463-B2 Halogen-substituted heterocyclic compound LPAR1, LPAR4, LPAR2 VCAM1 1657/4885MAPK1 1426/4885ALDH1A1 1964/4885
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO VCAM1 3487/4885MAPK1 1903/4885ALDH1A1 1261/4885
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 VCAM1 1860/4885MAPK1 932/4885ALDH1A1 1997/4885
US-10597375-B2 Halogen-substituted heterocyclic compound LPAR3, LPAR1, LPAR2 VCAM1 1860/4885MAPK1 932/4885ALDH1A1 1997/4885

“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.