SCHEMBL904541

SCHEMBL904541

FC(F)(F)c1cccnc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.56
AURKA O14965 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
ESR1 P03372 1/20 0.39
PTK2 Q05397 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL904550 0.89 TRPV1 (0.47) TRPV1AURKASMN1; SMN2ESR1
SCHEMBL4186262 0.87 TRPV1 (0.64) TRPV1AURKA
SCHEMBL4196056 0.83 TRPV1 (0.73) TRPV1
SCHEMBL16471238 0.82 AURKA (0.57) AURKASMN1; SMN2PTGDR2ESR1KIF11
SCHEMBL4179974 0.82 TRPV1 (0.56) TRPV1
SCHEMBL16471241 0.77 AURKA (0.63) AURKASMN1; SMN2PTGDR2ESR1KIF11
SCHEMBL4172393 0.77 AURKA (0.60) AURKASMN1; SMN2PTGDR2ESR1KIF11
SCHEMBL904706 0.76 TRPV1 (0.61) TRPV1
SCHEMBL4060567 0.76 AURKA (0.68) AURKASMN1; SMN2PTGDR2ESR1KIF11
SCHEMBL1667430 0.76 AURKA (0.68) AURKASMN1; SMN2PTGDR2ESR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621915-B1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-04-20 EP claimed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US claimed
US-9040572-B2 Method of preparing benzoimidazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-26 US claimed
EP-2621915-B1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-04-20 EP disclosed
EP-2621915-B1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-04-20 EP 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
US-9040572-B2 Method of preparing benzoimidazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-26 US disclosed
US-9040572-B2 Method of preparing benzoimidazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-26 US disclosed
US-9040572-B2 Method of preparing benzoimidazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-26 US disclosed
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-09-05 US disclosed
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-09-05 US disclosed
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-09-05 US disclosed
EP-2621915-A2 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES Daewoong Pharmaceutical Co., Ltd (KR) 2013-08-07 EP disclosed
WO-2012044043-A2 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-04-05 WO disclosed
WO-2012044043-A2 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-04-05 WO 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 (2 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 TRPV1 1/4885AURKA 3834/4885SMN1; SMN2 1331/4885
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES BRD1, BRD4, VAT1 TRPV1 21/4885AURKA 1573/4885SMN1; SMN2 4640/4885

“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.