SCHEMBL6355367

SCHEMBL6355367

O=[N+]([O-])c1ccc(-c2nnnn2Cc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
P2RX7 Q99572 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 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
SCHEMBL27514124 0.87 P2RX7 (0.62) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6357229 0.86 ALDH1A1 (0.60) KMT2AALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL6356518 0.83 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2P2RX7CYP1A2
SCHEMBL6355200 0.81 ALDH1A1 (0.55) KMT2AALDH1A1HPGDP2RX7HDAC6
SCHEMBL6362505 0.79 P2RX7 (0.70) KMT2AALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL6355935 0.79 POLB (0.66) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6360966 0.78 LMNA (0.48) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6356649 0.78 P2RX7 (0.47) KMT2AALDH1A1PKMP2RX7HDAC6
SCHEMBL6362599 0.76 CYP11B1 (0.52) ALDH1A1HPGDP2RX7HDAC6CYP2D6
SCHEMBL6355055 0.75 ALDH1A1 (0.55) KMT2AALDH1A1HPGDSMN1; SMN2PKM

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 1711/4885ALDH1A1 1194/4885HPGD 586/4885

“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.