SCHEMBL376601

SCHEMBL376601

Cn1cc(-c2ccc(N)c([N+](=O)[O-])c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
TDP1 Q9NUW8 3/20 0.63
POLB P06746 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ERN1 O75460 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
GALR3 O60755 1/20 0.46
THRB P10828 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL16134054 0.84 MAPT (0.58) MAPTTDP1POLBMEN1KMT2A
SCHEMBL3251984 0.83 ERN1 (0.54) MAPTTDP1POLBMEN1KMT2A
SCHEMBL17200520 0.83 ERN1 (0.61) MAPTPOLBERN1TSHRALDH1A1
SCHEMBL29677243 0.83 ERN1 (0.54) MAPTERN1NPSR1ALDH1A1PIK3CA
SCHEMBL14863117 0.83 ERN1 (0.54) MAPTERN1NPSR1ALDH1A1PIK3CA
SCHEMBL18985916 0.82 MAPT (0.58) MAPTTDP1POLBMEN1KMT2A
SCHEMBL22652108 0.81 ERN1 (0.52) MAPTMEN1KMT2AERN1TSHR
SCHEMBL29976657 0.81 PDGFRB (0.55) MAPTTDP1POLBMEN1KMT2A
SCHEMBL16151393 0.80 ERN1 (0.54) ERN1AURKATTKAURKBINCENP
SCHEMBL16151407 0.80 TDP1 (0.51) MAPTTDP1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2024-08-20 US disclosed
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US disclosed
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
CN-108264511-B Heterocyclic derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2021-04-13 CN disclosed
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2021-04-08 US disclosed
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2021-04-08 US disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
EP-2032564-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SmithKline Beecham Corporation (US) 2009-03-11 EP disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
WO-2007143506-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-13 WO disclosed
WO-2007143506-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-13 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 (8 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-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 MAPT 4413/4885TDP1 3406/4885POLB 730/4885
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 MAPT 4413/4885TDP1 3406/4885POLB 730/4885
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES F12, F3, COL1A1 MAPT 4413/4885TDP1 3406/4885POLB 730/4885
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 MAPT 4405/4885TDP1 1833/4885POLB 162/4885
US-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 MAPT 1126/4885TDP1 3179/4885POLB 3210/4885
US-20210101903-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES JAK3, IFNG, IL23R MAPT 4573/4885TDP1 3349/4885POLB 782/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 MAPT 1126/4885TDP1 3179/4885POLB 3210/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 MAPT 4405/4885TDP1 1833/4885POLB 162/4885

“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.