SCHEMBL6399001

SCHEMBL6399001

SC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
PLAU P00749 1/20 0.42
TSHR P16473 1/20 0.38
ANPEP P15144 1/20 0.38
DRD3 P35462 1/20 0.38
PRCP P42785 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL8929737 0.82 PLAU (0.56) PLAUTSHRANPEPCA1CA2
SCHEMBL11824987 0.81 PLAU (0.48) IDO1PLAUTSHRANPEPDRD3
SCHEMBL27424595 0.78 ACHE (0.39) TSHR
SCHEMBL19073527 0.78 TSHR (0.50) IDO1PLAUTSHRANPEPCA1
SCHEMBL24214452 0.71 NISCH (0.45)
SCHEMBL6397723 0.71 DRD2 (0.41) DRD3
SCHEMBL29533177 0.71 ANPEP (0.47) IDO1ANPEP
SCHEMBL22893170 0.71 ANPEP (0.47) IDO1ANPEP
SCHEMBL25730011 0.69 DRD2 (0.50) DRD3
SCHEMBL22052056 0.69 IDO1 (0.47) IDO1PLAUDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US claimed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 EP claimed
US-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US disclosed
US-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US disclosed
US-8853250-B2 Sodium channel inhibitors ICAGEN, INC. (US) 2014-10-07 US disclosed
US-8853250-B2 Sodium channel inhibitors ICAGEN, INC. (US) 2014-10-07 US disclosed
EP-2175728-B1 SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2014-09-10 EP disclosed
US-20100267782-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC (US) 2010-10-21 US disclosed
US-20100267782-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC (US) 2010-10-21 US disclosed
WO-2009012241-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 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 (3 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 IDO1 2202/4885PLAU 3778/4885TSHR 2489/4885
US-20140357685-A1 Sodium Channel Inhibitors TRPV1, SCN1A, SCN2A IDO1 2926/4885PLAU 4820/4885TSHR 4217/4885
US-20100267782-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A IDO1 2926/4885PLAU 4820/4885TSHR 4217/4885

“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.