SCHEMBL12438642

SCHEMBL12438642

Cc1nc2c3c(ccc2[nH]1)COC3

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
PARP1 P09874 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HTR1A P08908 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CSNK2A1 P68400 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL12438618 0.86 ADRB2 (0.35) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL12440345 0.83 ADRB2 (0.34) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL14648508 0.78 ADRB2 (0.39) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL12440353 0.78 PARP1 (0.38) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL12438617 0.75 ADRB2 (0.39) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL14648516 0.75 STAT3 (0.40) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL12440339 0.73 ADRB2 (0.38) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL14648515 0.73 STAT3 (0.40) ADRB2PARP1OPRM1OPRD1OPRK1
SCHEMBL13594653 0.73 ADRB2 (0.52) ADRB2PARP1KDM4EHTTPDE1A
SCHEMBL12438619 0.69 ADRB2 (0.37) ADRB2PARP1HTTHTR1AALDH1A1

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 ADRB2 747/4885PARP1 1226/4885OPRM1 900/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 ADRB2 747/4885PARP1 1226/4885OPRM1 900/4885

“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.