SCHEMBL12438640

SCHEMBL12438640

Cc1nc2cc3c(cc2[nH]1)COC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAPT P10636 7/20 0.45
KDM4E B2RXH2 6/20 0.45
POLB P06746 5/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PKM P14618 1/20 0.37
HCRTR1 O43613 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL12438622 0.89 CHRNB2 (0.40) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12440387 0.86 CHRNB2 (0.38) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL3478940 0.83 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12440388 0.82 CHRNB2 (0.43) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL13998791 0.79 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438886 0.79 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438631 0.79 CHRNB2 (0.50) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL14648511 0.78 CHRNB2 (0.45) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL13041691 0.77 ALDH1A1 (0.59) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL720947 0.76 CHRNB2 (0.47) CHRNB2CHRNA4MAPTKDM4EPOLB

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 5 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-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 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 (1 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 CHRNB2 4730/4885CHRNA4 4162/4885MAPT 4289/4885

“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.