SCHEMBL4136878

SCHEMBL4136878

CN(C)S(=O)(=O)Nc1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 1/20 0.53
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.50
KIF11 P52732 1/20 0.50
AR P10275 1/20 0.46
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11000743 0.84 HPGD (0.83) HPGDMEN1KMT2APOLBHTT
SCHEMBL460093 0.78 HPGD (0.70) HPGDMEN1KMT2APOLBHTT
SCHEMBL694478 0.78 HTT (0.52) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL789015 0.77 HPGD (0.50) HPGDMEN1KMT2APOLBHTT
SCHEMBL3467606 0.77 HPGD (1.00) HPGDMEN1KMT2APOLBHTT
SCHEMBL20032 0.76 KEAP1 (0.60) HPGDHTTALDH1A1KIF11MAPT
SCHEMBL3872525 0.75 HPGD (0.68) HPGDMEN1KMT2APOLBHTT
SCHEMBL14358427 0.75 HPGD (0.68) HPGDMEN1KMT2APOLBHTT
SCHEMBL9464414 0.75 HPGD (0.68) HPGDMEN1KMT2APOLBHTT
SCHEMBL14358426 0.75 HPGD (0.68) HPGDMEN1KMT2APOLBHTT

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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
EP-1408963-A1 2- 5-(5-CARBAMIMIDOYL-1 i H /i -HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003006011-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed
US-4927731-A PHOTOTHERMOGRPHY; MICROCAPSULES; STORAGE STABILITY; IMAGE CLARITY FUJI PHOTO FILM CO., LTD. (JP) 1990-05-22 US disclosed
EP-0143570-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1988-01-27 EP disclosed
US-4548899-A MAGENTA COUPLER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-10-22 US disclosed
EP-0143570-A2 Silver halide color photographic material KONICA CORPORATION (JP) 1985-06-05 EP disclosed
EP-0075117-B1 2H-1,2,4,6-THIATRIAZINE-1,1-DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-13 EP disclosed
US-4428766-A 2N-1,2,4,6,Thiatriazine-1,1-dioxides and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0075117-A2 2H-1,2,4,6-thiatriazine-1,1-dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-30 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 (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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ HPGD 334/4885MEN1 4225/4885KMT2A 4486/4885
US-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 HPGD 1893/4885MEN1 204/4885KMT2A 2292/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ HPGD 334/4885MEN1 4225/4885KMT2A 4486/4885

“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.