SCHEMBL1070542

SCHEMBL1070542

CCCCOc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
LTA4H P09960 2/20 0.53
TBXAS1 P24557 1/20 0.52
TSHR P16473 1/20 0.50
PLA2G4B P0C869 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH1 P35367 1/20 0.47
CCR3 P51677 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
SCHEMBL10289405 0.95 TSHR (0.57) CYP11B1CYP11B2LTA4HTBXAS1TSHR
SCHEMBL921871 0.94 LTA4H (0.56) CYP11B1CYP11B2LTA4HTBXAS1TSHR
SCHEMBL14034743 0.93 TSHR (0.59) CYP11B1CYP11B2LTA4HTBXAS1TSHR
SCHEMBL6960220 0.93 TSHR (0.59) CYP11B1CYP11B2LTA4HTBXAS1TSHR
SCHEMBL6957299 0.93 TSHR (0.59) CYP11B1CYP11B2LTA4HTBXAS1TSHR
SCHEMBL25168671 0.93 TSHR (0.59) CYP11B1CYP11B2LTA4HTBXAS1TSHR
SCHEMBL921023 0.92 LTA4H (0.62) CYP11B1CYP11B2LTA4HTBXAS1KDM4E
SCHEMBL2536496 0.91 KMT2A (0.54) CYP11B1CYP11B2TBXAS1TSHR
SCHEMBL12879202 0.91 CYP11B1 (0.57) CYP11B1CYP11B2LTA4HTSHRPLA2G4B
SCHEMBL7388461 0.87 TBXAS1 (0.56) TBXAS1HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 US disclosed
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 EP disclosed
US-20190127395-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2019-05-02 US disclosed
EP-2272813-B1 Copper-catalyzed formation of carbon-oxygen bonds MASSACHUSETTS INST TECHNOLOGY (US) 2016-11-16 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
EP-2272813-A2 Copper-catalyzed formation of carbon-oxygen bonds Massachusetts Institute of Technology (MIT) (US) 2011-01-12 EP disclosed
EP-1824479-B1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-11-05 EP disclosed
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 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 (5 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CYP11B1 404/4885CYP11B2 405/4885LTA4H 3020/4885
US-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 CYP11B1 75/4885CYP11B2 78/4885LTA4H 2113/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CYP11B1 404/4885CYP11B2 405/4885LTA4H 3020/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CYP11B1 404/4885CYP11B2 405/4885LTA4H 3020/4885
US-20190127395-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 CYP11B1 75/4885CYP11B2 78/4885LTA4H 2113/4885

“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.