SCHEMBL1424601

SCHEMBL1424601

Nc1ccccc1C(=O)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.66
LMNA P02545 2/20 0.66
HPGDS O60760 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 5/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PSMD14 O00487 1/20 0.55
MMP2 P08253 1/20 0.55
GAA P10253 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
DAO P14920 1/20 0.48
RAB9A P51151 3/20 0.47
ADORA1 P30542 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9148337 0.86 LMNA (0.85) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL27774649 0.81 IDO1 (0.56) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL5213288 0.80 RECQL (0.55) ALOX15LMNAHPGDHTTMAPT
SCHEMBL3984529 0.80 MAPT (0.57) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL10618289 0.79 ALOX15 (0.68) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL3859942 0.79 ALOX15 (1.00) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL2843104 0.78 MAPT (0.52) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL1339733 0.78 HPGD (0.53) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL9364002 0.78 ALOX15 (0.71) ALOX15LMNAHPGDSHPGDHTT
SCHEMBL11434037 0.78 LMNA (0.66) ALOX15LMNAHPGDSHPGDHTT

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326978-B2 A3 adenosine receptor allosteric modulators THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-05-03 US disclosed
US-20130197025-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2013-08-01 US disclosed
EP-2323661-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIV LEIDEN (NL) 2013-04-17 EP disclosed
US-8420664-B2 A3 adenosine receptor allosteric modulators THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-04-16 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP disclosed
EP-1983990-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS US GOV HEALTH & HUMAN SERV (US) 2011-03-23 EP disclosed
EP-1880428-B1 AZAPERYLENES AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2010-09-22 EP disclosed
US-7723521-B2 Azaperylenes as organic semiconductors CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 WO disclosed
US-4518603-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1985-05-21 US disclosed
US-4497740-A ANALGESICS KALI-CHEMIE PHARMA GMBH (DE) 1985-02-05 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4480100-A CHEMICAL INTERMEDIATES FOR ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1984-10-30 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0107261-A2 (2-((Nitropyridinyl)amino)phenyl)arylmethanones and salts, their use in medicine, pharmaceutical compositions containing them and their use in the preparation of (2-((aminopyridinyl)amino)phenyl)arylmethanones and pyrido(1,4)benzodiazepines A.H. ROBINS COMPANY, INCORPORATED (US) 1984-05-02 EP disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP disclosed
EP-0068240-A1 2-Acylaminomethyl-1,4-benzodiazepine derivatives, their preparation and intermediates, and pharmaceutical preparations containing them Kali-Chemie Pharma GmbH (DE) 1983-01-05 EP disclosed
US-4201712-A MULTISTAGE, MULTIZONAL BOEHRINGER INGELHEIM GMBH (DE) 1980-05-06 US disclosed
US-3950526-A Quinazoline derivatives in pharmaceutical compositions for treating pain and inflammation SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 US 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-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 ALOX15 4446/4885LMNA 3678/4885HPGDS 3364/4885
US-20130197025-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 ALOX15 3890/4885LMNA 2779/4885HPGDS 3714/4885

“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.