SCHEMBL6358697

SCHEMBL6358697

O=[N+]([O-])c1ccc(Cc2nnnn2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 7/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
PTGS2 P35354 2/20 0.49
USP2 O75604 1/20 0.48
ALPG P10696 1/20 0.48
HSD11B1 P28845 2/20 0.47
NLRP3 Q96P20 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
SCHEMBL4405904 0.82 HSD11B1 (0.59) PKMSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6359707 0.79 PKM (0.51) PKMSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10960723 0.78 ALDH1A1 (0.71) PKMSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7823769 0.77 POLB (0.49) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL15452739 0.77 HTT (0.64) PKMSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4825713 0.75 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27538679 0.73 SMN1; SMN2 (1.00) PKMSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10678819 0.73 ALDH1A1 (0.55) PKMSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL9447466 0.73 ALDH1A1 (0.62) PKMSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6361554 0.73 HSD11B1 (0.49) PKMSMN1; SMN2ALDH1A1LMNAHTT

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 PKM 360/4885SMN1; SMN2 972/4885ALDH1A1 1194/4885

“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.