SCHEMBL6359707

SCHEMBL6359707

Nc1ccc(Cc2nnnn2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
HTT P42858 2/20 0.51
NLRP3 Q96P20 1/20 0.51
HSD11B1 P28845 3/20 0.49
PTGS2 P35354 2/20 0.48
ALDH1A1 P00352 10/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4405904 0.89 HSD11B1 (0.59) PKMHTTNLRP3HSD11B1PTGS2
SCHEMBL15452739 0.83 HTT (0.64) PKMHTTNLRP3HSD11B1ALDH1A1
SCHEMBL6358697 0.79 PKM (0.58) PKMHTTNLRP3HSD11B1PTGS2
SCHEMBL9447466 0.78 ALDH1A1 (0.62) PKMHTTNLRP3HSD11B1PTGS2
SCHEMBL6361554 0.78 HSD11B1 (0.49) PKMHTTNLRP3HSD11B1PTGS2
SCHEMBL27959558 0.76 HTT (0.60) PKMHTTNLRP3HSD11B1ALDH1A1
SCHEMBL4675275 0.76 HSD11B1 (0.64) PKMHTTNLRP3HSD11B1ALDH1A1
SCHEMBL4834216 0.73 ALDH1A1 (0.45) PTGS2ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL10934021 0.73 HTT (0.60) PKMHTTNLRP3HSD11B1ALDH1A1
SCHEMBL2212836 0.73 ALDH1A1 (0.69) PKMHTTNLRP3HSD11B1ALDH1A1

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 360/4885HTT 761/4885NLRP3 1234/4885

“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.