SCHEMBL12438873

SCHEMBL12438873

COc1c(C)cnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OCCO4)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.41
KMT2A Q03164 5/20 0.39
ATP4A P20648 5/20 0.39
ATP4B P51164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
WDR5 P61964 3/20 0.39
ATP1A1 P05023 3/20 0.39
ATP1B1 P05026 3/20 0.39
ATP1A3 P13637 3/20 0.39
ATP1B2 P14415 3/20 0.39
ATP1A2 P50993 3/20 0.39
ATP1B3 P54709 3/20 0.39
FXYD2 P54710 3/20 0.39
ATP1A4 Q13733 3/20 0.39
CYP2C9 P11712 2/20 0.39
DDAH1 O94760 2/20 0.39
ENGASE Q8NFI3 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 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
SCHEMBL9793531 0.94 BRS3 (0.41) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL6532605 0.93 BRS3 (0.35) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL6881275 0.91 ATP4A (0.47) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL12438851 0.91 BRS3 (0.38) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL10376269 0.88 ATP4A (0.43) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL6881048 0.87 PDE10A (0.35) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL10368604 0.87 ATP4A (0.53) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL10938274 0.87 ATP4A (0.47) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL9784753 0.85 PDE10A (0.34) BRS3KMT2AATP4AATP4BKDM4E
SCHEMBL6881365 0.85 ATP4A (0.47) BRS3KMT2AATP4AATP4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532665-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XUANZHU PHARMA CO LTD (CN) 2016-09-07 EP disclosed
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 US disclosed
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 US disclosed
EP-2532665-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2012-12-12 EP disclosed
WO-2011095057-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-11 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 (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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES F12, HRH2, H1-3 BRS3 80/4885KMT2A 2484/4885ATP4A 937/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 BRS3 80/4885KMT2A 2484/4885ATP4A 937/4885

“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.