SCHEMBL12439136

SCHEMBL12439136

Sc1nc2cc3c(cc2[nH]1)OCC3

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DYRK1A Q13627 2/20 0.36
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 2/20 0.33
PRKCI P41743 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK10 P53779 1/20 0.31
RIPK1 Q13546 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
PLA2G10 O15496 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
SCHEMBL712673 0.84 HDAC11 (0.40) HDAC6MAPTRAB9ASMN1; SMN2PKM
SCHEMBL12438620 0.82 CHRNB2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10845987 0.81 HDAC11 (0.36) HDAC6MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL712984 0.77 PDE10A (0.44) MAPTRAB9ASMN1; SMN2NPC1MAPK10
SCHEMBL10842204 0.75 GRIN2D (0.44) MAPT
SCHEMBL11350122 0.75 GRIN2D (0.39) MAPT
SCHEMBL12438875 0.73 CHRNB2 (0.39) MAPTRAB9ASMN1; SMN2PKMNPC1
SCHEMBL12440386 0.72 CHRNB2 (0.38) MAPTRAB9ASMN1; SMN2PKMNPC1
SCHEMBL30534866 0.71 MAPT (0.43) DYRK1AMAPTRAB9ASMN1; SMN2PRKCI
SCHEMBL10845167 0.71 PDE10A (0.34)

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 13 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
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-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-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
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 HDAC3 33/4885HDAC1 39/4885HDAC2 25/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 HDAC3 33/4885HDAC1 39/4885HDAC2 25/4885

“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.