SCHEMBL904503

SCHEMBL904503

O=Cc1ccc(OBOc2ccc(C=O)c3ccccc23)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
MCL1 Q07820 2/20 0.38
CYP2A6 P11509 2/20 0.36
IMPDH2 P12268 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX12 P18054 1/20 0.36
NTSR1 P30989 1/20 0.36
CCR6 P51684 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL545661 0.78 MAPT (0.54) LMNAKMT2AMEN1TDP1ALDH1A1
SCHEMBL29708066 0.78 MAPT (0.54) LMNAKMT2AMEN1TDP1ALDH1A1
SCHEMBL982388 0.78 KMT2A (0.61) LMNAKMT2AMEN1THRBBLM
SCHEMBL29786760 0.78 KMT2A (0.61) LMNAKMT2AMEN1THRBBLM
SCHEMBL3267768 0.76 LMNA (0.61) LMNAKMT2AMEN1THRBBLM
SCHEMBL11695299 0.76 IMPDH2 (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL4804590 0.76 LMNA (0.38) LMNAKMT2AMEN1THRBBLM
SCHEMBL7190037 0.76 ALDH1A1 (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL841267 0.75 ALDH1A1 (0.59) LMNAKMT2AMEN1THRBBLM
SCHEMBL2649230 0.74 HTT (0.50) LMNAKMT2AMEN1BLMTDP1

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 6 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
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES BRD1, BRD4, VAT1 LMNA 4158/4885KMT2A 1685/4885MEN1 3487/4885
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 LMNA 4551/4885KMT2A 3326/4885MEN1 4829/4885

“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.