SCHEMBL4864061

SCHEMBL4864061

c1ccc(-c2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 9/20 0.55
NPSR1 Q6W5P4 6/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.52
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ALPL P05186 1/20 0.50
GAA P10253 1/20 0.50
IDO1 P14902 1/20 0.50
TTK P33981 1/20 0.50
MAPK10 P53779 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
PDE5A O76074 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 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
SCHEMBL13457926 0.95 HTT (0.56) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL13911030 0.92 HTT (0.54) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL13911024 0.92 HTT (0.54) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL13911027 0.88 HTT (0.50) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL580414 0.86 MAPT (0.49) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL7664718 0.86 NPSR1 (0.49) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL7657206 0.86 HTT (0.48) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL31132418 0.86 KDM4E (0.65) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL219856 0.86 KDM4E (0.65) HTTLMNAALDH1A1NPSR1MAPT
SCHEMBL7068103 0.86 ALDH1A1 (0.53) HTTLMNAALDH1A1NPSR1MAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180123054-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-03 US disclosed
US-20180123054-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-03 US disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 US disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 US disclosed
US-9525009-B2 Organic electroluminescent element and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2016-12-20 US disclosed
US-9525009-B2 Organic electroluminescent element and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2016-12-20 US disclosed
US-20160043325-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
US-20160043325-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
US-20140246660-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2014-09-04 US disclosed
US-20140246660-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2014-09-04 US disclosed
EP-2168576-A2 New utilities of tricyclic compounds Shionogi & Co., Ltd. (JP) 2010-03-31 EP disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 US disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 US disclosed
US-7429662-B2 Red-emitting electrophosphorescent devices CITY UNIVERSITY OF HONG KONG (CN) 2008-09-30 US disclosed
US-20060261730-A1 Red-emitting electrophosphorescent devices CITY UNIVERSITY OF HONG KONG (CN) 2006-11-23 US disclosed
US-6057473-A Synthesis of aryl serines THE SCRIPPS RESEARCH INSTITUTE (US) 2000-05-02 US disclosed
US-5767304-A USING OSMIUM CATALYST AND CHIRAL LIGAND THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-16 US disclosed
WO-1997046516-A1 CATALYTIC ASYMMETRIC AMINOHYDROXYLATION OF OLEFINS WITH CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 1997-12-11 WO 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-20080318958-A1 New utilities of tricyclic compounds APOB, PON1, APOL1 HTT 1533/4885LMNA 920/4885ALDH1A1 934/4885
US-20060261730-A1 Red-emitting electrophosphorescent devices IK, EED, SPR HTT 3692/4885LMNA 4569/4885ALDH1A1 320/4885

“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.