SCHEMBL2398877

SCHEMBL2398877

C[Si](C)(C)C#Cc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ADRB2 P07550 1/20 0.39
HTT P42858 1/20 0.38
CASP3 P42574 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
SCHEMBL1068908 0.88 TDP1 (0.50) TSHRMAPTTDP1MEN1POLB
SCHEMBL6511117 0.85 CYP1A2 (0.39) TSHRMAPTTDP1MEN1POLB
SCHEMBL6510043 0.84 VCAM1 (0.39) TSHRMAPTTDP1ALDH1A1CYP3A4
SCHEMBL1507617 0.83 ALDH1A1 (0.49) TSHRMAPTMEN1POLBKMT2A
SCHEMBL2685005 0.81 VCAM1 (0.59) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL15687843 0.81 ALDH1A1 (0.49) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL21753062 0.80 PDK1 (0.43) TSHRMAPTTDP1MEN1POLB
SCHEMBL18784932 0.78 TSHR (0.51) TSHRMAPTTDP1MEN1POLB
SCHEMBL9356251 0.78 CASP3 (0.54) TSHRMAPTTDP1MEN1POLB
SCHEMBL12226837 0.77 CYP1A2 (0.35) TSHRTDP1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 EP disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-9890327-B2 Phosphorescent transition metal complex, its preparation and use CITY UNIVERSITY OF HONG KONG (HK) 2018-02-13 US disclosed
EP-2981533-B1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2017-12-06 EP disclosed
US-20170114275-A1 PHOSPHORESCENT TRANSITION METAL COMPLEX, ITS PREPARATION AND USE CITY UNIVERSITY OF HONG KONG (HK) 2017-04-27 US disclosed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
EP-2981533-A1 PROTEIN KINASE INHIBITORS Orion Corporation (FI) 2016-02-10 EP disclosed
US-20160031855-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2016-02-04 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 WO disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (7 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 TSHR 3601/4885MAPT 60/4885TDP1 79/4885
US-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS TSHR 3747/4885MAPT 4009/4885TDP1 1299/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 TSHR 3601/4885MAPT 60/4885TDP1 79/4885
US-20160031855-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR2, FGFR3 TSHR 1569/4885MAPT 3430/4885TDP1 2417/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB TSHR 4683/4885MAPT 1464/4885TDP1 871/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB TSHR 4683/4885MAPT 1464/4885TDP1 871/4885
US-20170114275-A1 PHOSPHORESCENT TRANSITION METAL COMPLEX, ITS PREPARATION AND USE DNAJA3, HSPE1, MDH2 TSHR 3090/4885MAPT 2989/4885TDP1 2894/4885

“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.