SCHEMBL731893

SCHEMBL731893

[CH2]CCc1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
CYP2A6 P11509 2/20 0.47
F12 P00748 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
ACHE P22303 1/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLG P00747 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL282759 0.89 PLAU (0.44) PLAUCYP2A6F12NCF1NOS3
SCHEMBL9112308 0.87 PLAU (0.43) PLAUCYP2A6F12NCF1NOS3
SCHEMBL291937 0.84 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29986248 0.84 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3248709 0.84 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3250398 0.84 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL18154032 0.82 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL31122674 0.82 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2307025 0.81 PLAU (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1574566 0.81 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164849-A2 PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AEterna Zentaris GmbH (DE) 2010-03-24 EP claimed
WO-2008138878-A2 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2008-11-20 WO claimed
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
CN-103539797-B Compounds of reverse turn mimetics and uses thereof JW PHARMACEUTICAL CORPORATION (KR) 2016-05-18 CN disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
CN-101827850-B Novel compounds of reverse turn mimetics and use thereof (2) CHOONGWAE PHARM CO 2014-03-12 CN disclosed
CN-103539797-A Novel compounds of reverse turn mimetics and the use thereof JW PHARMACEUTICAL CORP 2014-01-29 CN disclosed
CN-101827849-B Novel compounds of reverse turn mimetics and uses thereof CHOONGWAE PHARMA CORP 2013-07-24 CN disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
EP-1718309-A2 ANORECTIC COMPOUNDS Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
WO-2005072740-A2 ANORECTIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-08-11 WO disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 EP disclosed
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
WO-1996040141-A1 4,5-BRIDGED QUINOXALINEDIONES AND QUINOLONES AND THE USE THEREOF AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 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 (1 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 PLAU 4592/4885CYP2A6 1920/4885F12 4585/4885

“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.