SCHEMBL4179967

SCHEMBL4179967

Fc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.52
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 2/20 0.41
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
GUSB P08236 2/20 0.38
NPBWR1 P48145 1/20 0.38
DGAT1 O75907 1/20 0.38
ADORA2A P29274 1/20 0.38
KCNH2 Q12809 1/20 0.38
KIF11 P52732 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
SCHEMBL4185881 0.88 CBFB (0.51) AURKAALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL4186615 0.87 AURKA (0.52) AURKAALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL4179825 0.83 CBFB (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBTRPA1
SCHEMBL4193199 0.81 AURKA (0.50) AURKAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4192788 0.80 AMY1A (0.58) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL4193080 0.79 DHODH (0.42) TRPA1NPBWR1CBFB
SCHEMBL4186711 0.79 CBFB (0.53) AURKAALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL4185909 0.78 NPBWR1 (0.57) NPBWR1DGAT1KCNH2CBFB
SCHEMBL4177338 0.76 CBFB (0.57) TRPA1KIF11CBFB
SCHEMBL4186703 0.76 AURKA (0.60) AURKASMN1; SMN2NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US claimed
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
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 3834/4885ALDH1A1 1281/4885SMN1; SMN2 1331/4885

“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.