SCHEMBL4172393

SCHEMBL4172393

Clc1nccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.60
KIF11 P52732 1/20 0.48
GUSB P08236 2/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ESR1 P03372 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
CHEK2 O96017 1/20 0.41
PAK4 O96013 1/20 0.40
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL16471238 0.85 AURKA (0.57) AURKAKIF11GUSBPTGDR2SMN1; SMN2
SCHEMBL16471241 0.85 AURKA (0.63) AURKAKIF11GUSBPTGDR2SMN1; SMN2
SCHEMBL4181895 0.81 MMP13 (0.60) SMN1; SMN2ESR1HDAC6MMP2MMP9
SCHEMBL4060567 0.78 AURKA (0.68) AURKAKIF11GUSBPTGDR2SMN1; SMN2
SCHEMBL4177192 0.78 AURKA (0.67) AURKAKIF11GUSBPTGDR2SMN1; SMN2
SCHEMBL1667430 0.78 AURKA (0.68) AURKAKIF11PTGDR2SMN1; SMN2ESR1
SCHEMBL904541 0.77 TRPV1 (0.56) AURKAKIF11PTGDR2SMN1; SMN2ESR1
SCHEMBL4162132 0.76 AURKA (0.53) AURKAKIF11GUSBPTGDR2SMN1; SMN2
SCHEMBL4148154 0.76 AURKA (0.52) AURKAKIF11GUSBPTGDR2SMN1; SMN2
SCHEMBL4058364 0.75 AURKA (0.56) AURKAKIF11GUSBPTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861387-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF DAE WOONG PHARMA (KR) 2014-04-16 EP claimed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US claimed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
EP-1861387-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF DAE WOONG PHARMA (KR) 2014-04-16 EP disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 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 (1 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-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same TRPV1, TRPA1, BDKRB2 AURKA 3834/4885KIF11 4123/4885GUSB 4567/4885

“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.