SCHEMBL6354502

SCHEMBL6354502

O=C(NCc1cc([N+](=O)[O-])ccc1OCc1ccccc1)c1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1B1 P15121 1/20 0.48
MAPT P10636 2/20 0.48
CYP19A1 P11511 2/20 0.48
SGMS2 Q8NHU3 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL6356674 0.86 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTSGMS2
SCHEMBL6355643 0.84 HPGD (0.54) KMT2AMEN1ALDH1A1MAPTSGMS2
SCHEMBL6356922 0.84 LMNA (0.57) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL6357846 0.83 SGMS2 (0.61) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL6362166 0.83 CYP1A2 (0.55) KMT2AALDH1A1AKR1B1SGMS2NPC1
SCHEMBL6355280 0.82 LMNA (0.55) KMT2AALDH1A1AKR1C3MAPTSGMS2
SCHEMBL6354409 0.80 NPC1 (0.56) KMT2AMEN1TDP1ALDH1A1AKR1C3
SCHEMBL6360998 0.78 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTSGMS2
SCHEMBL6357172 0.77 KMT2A (0.56) KMT2AMEN1TDP1ALDH1A1AKR1B1
SCHEMBL6355252 0.77 SGMS2 (0.61) KMT2AMEN1TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 KMT2A 1711/4885MEN1 3860/4885TDP1 1766/4885

“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.