SCHEMBL5544476

SCHEMBL5544476

O=COCCCCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.47
SIGMAR1 Q99720 2/20 0.39
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35

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
Hydrochloric Acid SCHEMBL27805378 0.98 CXCR4 (0.46) CXCR4SIGMAR1HRH2HRH1HRH3
SCHEMBL272713 0.94 CXCR4 (0.46) CXCR4SIGMAR1HRH2HRH1HRH3
SCHEMBL5293272 0.86 SIGMAR1 (0.41) CXCR4SIGMAR1HRH2HRH1HRH3
SCHEMBL5290984 0.84 MEN1 (0.44) CXCR4SIGMAR1HRH2HRH1HRH3
SCHEMBL28866652 0.82 HRH3 (0.50) HRH3ALDH1A1LMNAKDM4EMEN1
SCHEMBL26488889 0.81 HRH3 (0.54) HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL8561719 0.81 HRH3 (0.54) HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL8614873 0.77 CXCR4 (0.70) CXCR4SIGMAR1HRH2HRH1HRH3
SCHEMBL5946012 0.76 HRH3 (0.46) HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15718696 0.76 HRH3 (0.41) HRH3ALDH1A1KDM4ESMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884271-A MODIFIER AND MODIFIED CONJUGATED DIENE-BASED POLYMER CONTAINING FUNCTIONAL GROUP DERIVED THEREFROM 株式会社LG化学 2018-11-23 CN disclosed
CN-101663293-B Quinoline-carboxamide derivatives as p2y12 antagonists SANOFI AVENTIS SPA 2013-07-31 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101522629-B 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2012-07-18 CN disclosed
CN-101528715-B 2-phenyl-6-aminocarbonyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
CN-101663293-A Quinoline-carboxamide derivatives as p2y12 antagonists SANOFI AVENTIS 2010-03-03 CN disclosed
CN-101528715-A 2-phenyl-6-aminocarbonyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-09 CN disclosed
CN-101522629-A 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CXCR4 629/4885SIGMAR1 234/4885HRH2 730/4885

“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.