SCHEMBL12440352

SCHEMBL12440352

Cc1nc2c3c(ccc2[nH]1)OCCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.40
HTR2C P28335 7/20 0.40
HTR2B P41595 6/20 0.40
HTR1A P08908 5/20 0.40
HTR1D P28221 4/20 0.40
HTR6 P50406 2/20 0.40
HTR4 Q13639 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR1B P28222 1/20 0.40
HTR7 P34969 1/20 0.40
ADRB2 P07550 1/20 0.35
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
RIPK1 Q13546 1/20 0.32
HTT P42858 1/20 0.31
HAVCR2 Q8TDQ0 1/20 0.31
ACHE P22303 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
SCHEMBL12438834 0.95 HTR2C (0.43) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL12438619 0.89 ADRB2 (0.37) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL14648516 0.76 STAT3 (0.40) ADRB2PARP1HTTHAVCR2
SCHEMBL14648515 0.75 STAT3 (0.40) ADRB2PARP1HTTHAVCR2
SCHEMBL8265186 0.75 HCRTR1 (0.39) ADRA2AADRA2CADRB2PARP1NPC1
SCHEMBL14648508 0.73 ADRB2 (0.39) ADRB2PARP1ALDH1A1RIPK1HTT
SCHEMBL12440345 0.72 ADRB2 (0.34) ADRB2PARP1HTTHAVCR2
SCHEMBL19776037 0.72 ACHE (0.36) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL14648520 0.72 ADRB2 (0.35) HTR2AHTR2CHTR2BADRB2PARP1
SCHEMBL12440353 0.70 PARP1 (0.38) ADRB2PARP1NPC1RAB9AHTT

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 HTR2A 2162/4885HTR2C 938/4885HTR2B 582/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 HTR2A 2162/4885HTR2C 938/4885HTR2B 582/4885

“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.