SCHEMBL904667

SCHEMBL904667

Cc1ccc(OBOc2ccc(C)c3ccccc23)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.56
CYP2A6 P11509 3/20 0.44
ALDH1A1 P00352 4/20 0.38
IDO1 P14902 1/20 0.36
TSHR P16473 3/20 0.35
EP300 Q09472 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
NQO1 P15559 1/20 0.34
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 4/20 0.32
ACHE P22303 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL637626 0.77 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1IDO1EP300
SCHEMBL14950810 0.76 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1IDO1TSHR
SCHEMBL29363045 0.75 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRHTT
SCHEMBL29447796 0.75 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRHTT
SCHEMBL161370 0.75 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRHTT
SCHEMBL16668583 0.74 PKM (0.47) CYP1A2IDO1EP300KAT8NQO1
Hydrochloric Acid SCHEMBL1134109 0.74 EP300 (0.59) CYP1A2CYP2A6ALDH1A1IDO1EP300
SCHEMBL15901381 0.74 GPR84 (0.39) ALDH1A1IDO1TSHREP300KAT8
SCHEMBL7647248 0.74 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1IDO1TSHR
SCHEMBL2961535 0.74 CHEK1 (0.50) IDO1TSHREP300KAT8HTT

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 8 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 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
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
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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 (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-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES BRD1, BRD4, VAT1 CYP1A2 53/4885CYP2A6 311/4885ALDH1A1 441/4885

“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.