SCHEMBL19320489

SCHEMBL19320489

O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(O)cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HGFAC Q04756 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GPR35 Q9HC97 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TTR P02766 3/20 0.48
ALOX5 P09917 3/20 0.48
PTGES O14684 1/20 0.48
HSPB1 P04792 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
CES2 O00748 1/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL28982636 0.88 ALOX5 (0.57) HGFACALDH1A1GPR35TP53HPGD
SCHEMBL70054 0.87 ALOX5 (0.58) HGFACALDH1A1TSHRSMN1; SMN2TTR
Ammonia Solution, Strong SCHEMBL27995845 0.82 CES2 (0.58) HGFACALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL20591990 0.81 HSPB1 (0.45) HGFACALDH1A1GPR35TP53HPGD
SCHEMBL28740633 0.81 MEN1 (0.54) ALDH1A1HPGDMAPK1SMN1; SMN2TTR
SCHEMBL1220299 0.80 ALDH1A1 (0.55) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL29379815 0.80 ALDH1A1 (0.55) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL427368 0.80 ALDH1A1 (0.55) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL29821424 0.80 ALDH1A1 (0.55) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL20591991 0.79 HGFAC (0.50) HGFACALDH1A1TTRHSPB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases MITOCHON PHARMACEUTICALS, INC. 2017-09-07 US disclosed
US-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases MITOCHON PHARMACEUTICALS, INC. 2017-09-07 US 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-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases SMN1; SMN2, MYLK2, WFS1 HGFAC 2753/4885ALDH1A1 2044/4885GPR35 2363/4885

“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.