SCHEMBL1964500

SCHEMBL1964500

CCc1ccccc1CN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CHRNA7 P36544 2/20 0.51
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.50
MPO P05164 2/20 0.48
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
MAOA P21397 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2A13 Q16696 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL13469225 0.98 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CHRNA7KDM4E
SCHEMBL13347750 0.96 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CHRNA7KDM4E
SCHEMBL11196594 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1CHRNA7KDM4E
SCHEMBL11194277 0.87 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1CHRNA7KDM4E
SCHEMBL15966079 0.84 LMNA (0.59) ALDH1A1KMT2AMEN1LMNAHRH3
SCHEMBL13469106 0.84 MC4R (0.58) ALDH1A1KMT2ACHRNA7KDM4EPOLB
SCHEMBL22711512 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1CHRNA7KDM4E
SCHEMBL4108619 0.82 CYP2A13 (0.69) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL14939663 0.82 LMNA (0.67) KMT2AMPOLMNA
SCHEMBL22711392 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CHRNA7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939675-B1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2019-09-04 EP disclosed
EP-2513028-B1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, USE OF SAID ALIZARIN COMPOUND, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORP (JP) 2018-06-20 EP disclosed
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-01-04 US disclosed
WO-2016008862-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-21 WO disclosed
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2015-11-19 US disclosed
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2015-11-19 US disclosed
EP-2939675-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT Shin Nippon Biomedical Laboratories, Ltd. (JP) 2015-11-04 EP disclosed
US-8741513-B2 Method for preparing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORPORATION (JP) 2014-06-03 US disclosed
EP-2513028-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM Corporation (JP) 2012-10-24 EP disclosed
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
US-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2012-09-27 US disclosed
WO-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 WO disclosed
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US 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 (4 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-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH ALDH1A1 1525/4885KMT2A 3165/4885MEN1 1737/4885
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 ALDH1A1 762/4885KMT2A 3224/4885MEN1 2959/4885
US-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR NR2E3, INA, NHERF1 ALDH1A1 783/4885KMT2A 606/4885MEN1 3843/4885
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 ALDH1A1 879/4885KMT2A 3437/4885MEN1 3079/4885

“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.