SCHEMBL12438867

SCHEMBL12438867

COc1c(C)cnc(C[S+]([O-])c2nc3c(ccc4[nH]ncc43)[nH]2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 2/20 0.39
ENGASE Q8NFI3 2/20 0.39
SARM1 Q6SZW1 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
KMT2A Q03164 4/20 0.38
WDR5 P61964 3/20 0.38
BRS3 P32247 2/20 0.37
AGXT P21549 1/20 0.37
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
CYP2C9 P11712 2/20 0.36
ATP1A1 P05023 2/20 0.36
ATP1B1 P05026 2/20 0.36
ATP1A3 P13637 2/20 0.36
ATP1B2 P14415 2/20 0.36
ATP1A2 P50993 2/20 0.36
ATP1B3 P54709 2/20 0.36
FXYD2 P54710 2/20 0.36
ATP1A4 Q13733 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6545460 0.85 DDAH1 (0.41) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL9793480 0.83 AGXT (0.41) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL373230 0.82 DDAH1 (0.39) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL3850802 0.82 AGXT (0.39) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL12497852 0.82 DDAH1 (0.39) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL7563072 0.81 DDAH1 (0.39) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL14649674 0.80 BRS3 (0.40) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL2943585 0.80 DDAH1 (0.40) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL10577317 0.79 DDAH1 (0.48) DDAH1ENGASESARM1IDO2KMT2A
SCHEMBL5662213 0.79 WDR5 (0.41) DDAH1ENGASESARM1IDO2KMT2A

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 DDAH1 3123/4885ENGASE 4723/4885SARM1 2140/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 DDAH1 3123/4885ENGASE 4723/4885SARM1 2140/4885

“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.