SCHEMBL2394881

SCHEMBL2394881

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.46
VCAM1 P19320 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ADRB2 P07550 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL27799226 0.83 MAPT (0.60) MAPTTDP1MEN1KMT2APOLB
SCHEMBL6512592 0.83 MAPT (0.40) MAPTTDP1MEN1KMT2APOLB
SCHEMBL11689602 0.82 TSHR (0.50) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL203082 0.81 VCAM1 (0.64) MAPTTDP1MEN1KMT2APOLB
SCHEMBL9793498 0.79 PTPN11 (0.49) MAPTTDP1MEN1KMT2APOLB
SCHEMBL11377708 0.78 MAPK1 (0.56) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2372334 0.78 ALDH1A1 (0.56) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL2683998 0.78 VCAM1 (0.69) TDP1TSHRVCAM1
SCHEMBL9356251 0.77 CASP3 (0.54) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29319281 0.75 ALDH1A1 (0.44) MAPTTDP1KMT2AALDH1A1CYP3A4

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 33 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
CN-106977549-B Phosphorescent transition metal complexes, their preparation and use 香港城市大学 2021-03-30 CN 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
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
CN-106977549-A Phosphorescent transition metal complexes, their preparation and use 香港城市大学 2017-07-25 CN disclosed
US-20170114275-A1 PHOSPHORESCENT TRANSITION METAL COMPLEX, ITS PREPARATION AND USE CITY UNIVERSITY OF HONG KONG (HK) 2017-04-27 US disclosed
US-20170114275-A1 PHOSPHORESCENT TRANSITION METAL COMPLEX, ITS PREPARATION AND USE CITY UNIVERSITY OF HONG KONG (HK) 2017-04-27 US 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
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
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN 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 (6 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 MAPT 60/4885TDP1 79/4885MEN1 1360/4885
US-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS MAPT 4009/4885TDP1 1299/4885MEN1 2453/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 MAPT 60/4885TDP1 79/4885MEN1 1360/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB MAPT 1464/4885TDP1 871/4885MEN1 895/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAPT 1464/4885TDP1 871/4885MEN1 895/4885
US-20170114275-A1 PHOSPHORESCENT TRANSITION METAL COMPLEX, ITS PREPARATION AND USE DNAJA3, HSPE1, MDH2 MAPT 2989/4885TDP1 2894/4885MEN1 1902/4885

“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.