SCHEMBL4403732

SCHEMBL4403732

c1ccc(Cn2nnnc2-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.81
HDAC6 Q9UBN7 1/20 0.65
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 2/20 0.60
HTT P42858 2/20 0.60
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.53
CASP3 P42574 1/20 0.53
NR1H3 Q13133 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
HSD11B1 P28845 1/20 0.53
DRD4 P21917 1/20 0.52

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
SCHEMBL6362202 0.90 P2RX7 (0.68) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL6357225 0.90 P2RX7 (0.72) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL5820209 0.90 P2RX7 (0.72) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL6362505 0.89 P2RX7 (0.70) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL6357793 0.89 P2RX7 (0.70) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL27541265 0.89 P2RX7 (0.70) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL6357664 0.86 P2RX7 (0.67) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL5815172 0.85 P2RX7 (0.61) P2RX7HDAC6ALDH1A1KMT2APOLB
SCHEMBL6361740 0.85 P2RX7 (0.65) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL6358318 0.85 P2RX7 (0.61) P2RX7HDAC6ALDH1A1POLBHTT

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 37 patents — showing the first 20. 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
WO-2024111420-A1 ALKALI-SOLUBLE RESIN, LIGHT-SENSITIVE RESIN COMPOSITION, METHODS RESPECTIVELY FOR PRODUCING THOSE, AND USE OF THOSE 株式会社日本触媒 2024-05-30 WO disclosed
WO-2024053609-A1 ALKALI-SOLUBLE RESIN, METHOD FOR PRODUCING SAME, PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, MEMBER FOR DISPLAY DEVICE, AND DISPLAY DEVICE 株式会社日本触媒 2024-03-14 WO disclosed
WO-2019215427-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 WO disclosed
WO-2019215426-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 WO disclosed
CN-106029746-B Foamed material 索尔维特殊聚合物美国有限责任公司 2019-06-14 CN disclosed
EP-2902385-B1 DEPROTECTION METHOD FOR TETRAZOLE COMPOUND API CORP (JP) 2019-01-09 EP disclosed
EP-2891650-B1 METHOD FOR PRODUCING BIARYL COMPOUND API CORP (JP) 2018-08-01 EP disclosed
EP-2891650-B1 METHOD FOR PRODUCING BIARYL COMPOUND API CORP (JP) 2018-08-01 EP disclosed
US-9624181-B2 Method for producing biaryl compound API CORPORATION (JP) 2017-04-18 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
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
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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 448/4885HDAC6 613/4885ALDH1A1 1194/4885
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE P2RX7 1307/4885HDAC6 1566/4885ALDH1A1 906/4885

“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.