SCHEMBL4185904

SCHEMBL4185904

CS(=O)(=O)O.FC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4C(F)(F)F)cn3)[nH]c2c1

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.62
CBFB Q13951 1/20 0.54
DGAT1 O75907 8/20 0.49
KCNH2 Q12809 3/20 0.49
NPBWR1 P48145 4/20 0.47
METAP2 P50579 1/20 0.44

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
Sulfuric Acid SCHEMBL4179926 0.96 TRPV1 (0.64) TRPV1CBFBDGAT1KCNH2NPBWR1
SCHEMBL904621 0.92 TRPV1 (0.71) TRPV1CBFBDGAT1KCNH2NPBWR1
Hydrochloric Acid SCHEMBL4182314 0.92 TRPV1 (0.70) TRPV1CBFBDGAT1KCNH2NPBWR1
SCHEMBL4189081 0.91 TRPV1 (0.58) TRPV1CBFBDGAT1KCNH2NPBWR1
Phosphoric Acid SCHEMBL4183555 0.91 TRPV1 (0.64) TRPV1CBFBDGAT1KCNH2NPBWR1
SCHEMBL4182013 0.88 TRPV1 (0.73) TRPV1CBFBDGAT1KCNH2NPBWR1
SCHEMBL4179856 0.83 TRPV1 (0.72) TRPV1CBFBDGAT1KCNH2NPBWR1
SCHEMBL4193128 0.82 CBFB (0.61) TRPV1CBFBDGAT1KCNH2NPBWR1
SCHEMBL4189162 0.82 TRPV1 (0.61) TRPV1CBFBDGAT1KCNH2METAP2
Dwp05195 SCHEMBL904647 0.82 TRPV1 (0.61) TRPV1CBFBDGAT1KCNH2NPBWR1

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 4 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-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

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 TRPV1 1/4885CBFB 1891/4885DGAT1 2290/4885

“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.