SCHEMBL12438875

SCHEMBL12438875

Cc1nc2cc3c(cc2[nH]1)OCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
RIPK1 Q13546 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL12440386 0.95 CHRNB2 (0.38) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438620 0.91 CHRNB2 (0.41) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL17702672 0.84 CHRNB2 (0.43) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL8265473 0.80 CHRNB2 (0.45) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL3478940 0.79 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL13998791 0.79 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12440387 0.78 CHRNB2 (0.38) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL23577775 0.77 KDM4E (0.48) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL8877256 0.77 PIK3CA (0.51) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL14648511 0.77 CHRNB2 (0.45) 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 8 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
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 CHRNB2 4730/4885CHRNA4 4162/4885MAPT 4289/4885
US-20130023568-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.