SCHEMBL12438646

SCHEMBL12438646

Cc1nc2ccc3c(c2[nH]1)COC3

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
CSNK2A1 P68400 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TYMS P04818 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14648530 0.78 HAVCR2 (0.39) KDM4EALDH1A1HSP90AA1ESR2TDP1
SCHEMBL12438626 0.75 ADORA3 (0.35) KDM4EALDH1A1HSP90AA1ESR2TDP1
SCHEMBL12438642 0.73 ADRB2 (0.38) KDM4EALDH1A1PARP1CSNK2A1ADORA3
SCHEMBL12440354 0.73 PARP1 (0.34) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL13383928 0.73 ALDH1A1 (0.48) KDM4EALDH1A1HSP90AA1ESR2TDP1
SCHEMBL12438628 0.69 MTNR1A (0.40) ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL12438640 0.67 CHRNB2 (0.45) KDM4EALDH1A1HSP90AA1ESR2TDP1
SCHEMBL14648539 0.67 DAO (0.35) ALDH1A1TDP1
SCHEMBL19776037 0.67 ACHE (0.36) ALDH1A1
SCHEMBL12438634 0.67 NOTUM (0.40) ALDH1A1HSP90AA1ESR2TDP1PARP1

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 KDM4E 2410/4885ALDH1A1 346/4885HSP90AA1 1788/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 KDM4E 2410/4885ALDH1A1 346/4885HSP90AA1 1788/4885

“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.