SCHEMBL12439146

SCHEMBL12439146

COc1c(C)cnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)CNC4)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.41
ATP4A P20648 5/20 0.40
ATP4B P51164 5/20 0.40
KMT2A Q03164 4/20 0.40
WDR5 P61964 3/20 0.40
CYP2C9 P11712 2/20 0.40
ATP1A1 P05023 2/20 0.40
ATP1B1 P05026 2/20 0.40
ATP1A3 P13637 2/20 0.40
ATP1B2 P14415 2/20 0.40
ATP1A2 P50993 2/20 0.40
ATP1B3 P54709 2/20 0.40
FXYD2 P54710 2/20 0.40
ATP1A4 Q13733 2/20 0.40
DDAH1 O94760 2/20 0.40
ENGASE Q8NFI3 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL12440026 0.86 BRS3 (0.38) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL9793519 0.84 BRS3 (0.38) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL12438851 0.84 BRS3 (0.38) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL9793531 0.83 BRS3 (0.41) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL12438873 0.83 BRS3 (0.41) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL14648542 0.83 BRS3 (0.42) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL12878864 0.82 BRS3 (0.50) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL15032050 0.82 KMT2A (0.44) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL4548502 0.82 KMT2A (0.44) BRS3ATP4AATP4BKMT2AWDR5
SCHEMBL10617038 0.82 BRS3 (0.50) BRS3ATP4AATP4BKMT2AWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 80/4885ATP4A 937/4885ATP4B 1113/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 BRS3 80/4885ATP4A 937/4885ATP4B 1113/4885

“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.