SCHEMBL6358318

SCHEMBL6358318

COc1ccc(Cn2nnnc2-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.61
ERCC5 P28715 1/20 0.59
FEN1 P39748 1/20 0.59
HDAC6 Q9UBN7 1/20 0.57
HSD11B1 P28845 1/20 0.57
ALDH1A1 P00352 8/20 0.52
HTT P42858 2/20 0.52
POLB P06746 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL6361740 0.94 P2RX7 (0.65) P2RX7ERCC5FEN1HDAC6HSD11B1
SCHEMBL4372445 0.86 HSD11B1 (0.49) P2RX7ERCC5FEN1HDAC6HSD11B1
SCHEMBL6362202 0.85 P2RX7 (0.68) P2RX7HDAC6HSD11B1ALDH1A1HTT
SCHEMBL6362679 0.85 NR1H2 (0.57) P2RX7HDAC6HSD11B1ALDH1A1HTT
SCHEMBL4403732 0.85 P2RX7 (0.81) P2RX7HDAC6HSD11B1ALDH1A1HTT
SCHEMBL27888913 0.84 ERCC5 (0.50) P2RX7ERCC5FEN1HDAC6HSD11B1
SCHEMBL6848952 0.83 NPC1 (0.53) P2RX7ERCC5FEN1HSD11B1ALDH1A1
SCHEMBL12172999 0.82 ALDH1A1 (0.60) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL6357205 0.82 P2RX7 (0.62) P2RX7ERCC5FEN1ALDH1A1POLB
SCHEMBL11903879 0.82 CNR1 (0.47) P2RX7ERCC5FEN1HSD11B1ALDH1A1

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 14 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-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
CN-102712606-A Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN disclosed
EP-2502919-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2012-09-26 EP disclosed
EP-2502919-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2012-09-26 EP disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
WO-2011061996-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE 田辺三菱製薬株式会社 (JP) 2011-05-26 WO disclosed
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 (2 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 P2RX7 448/4885ERCC5 3955/4885FEN1 3770/4885
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE P2RX7 1307/4885ERCC5 3866/4885FEN1 4663/4885

“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.