SCHEMBL4215375

SCHEMBL4215375

CCOc1ccccc1-n1nnnc1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
KCNN4 O15554 3/20 0.55
ALDH1A1 P00352 9/20 0.53
CACNA2D1 P54289 1/20 0.52
POU5F1 Q01860 1/20 0.51
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX7 Q99572 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4205653 0.88 ALDH1A1 (0.51) MAPK1KCNN4ALDH1A1CACNA2D1POU5F1
SCHEMBL4197401 0.87 ALDH1A1 (0.46) MAPK1KCNN4ALDH1A1CACNA2D1POU5F1
SCHEMBL4209121 0.84 ALDH1A1 (0.45) MAPK1KCNN4ALDH1A1POU5F1TSHR
SCHEMBL4202154 0.83 MAPK1 (0.56) MAPK1KCNN4ALDH1A1CACNA2D1POU5F1
SCHEMBL10711024 0.83 MAPK1 (0.56) MAPK1KCNN4ALDH1A1CACNA2D1POU5F1
SCHEMBL4211677 0.82 KCNN4 (0.66) KCNN4ALDH1A1TSHRKMT2AMAPT
SCHEMBL4210039 0.81 ALDH1A1 (0.56) MAPK1KCNN4ALDH1A1CACNA2D1POU5F1
SCHEMBL4203249 0.81 MAPK1 (0.54) MAPK1KCNN4ALDH1A1CACNA2D1POU5F1
SCHEMBL4205786 0.80 MAPK1 (0.53) MAPK1KCNN4ALDH1A1CACNA2D1POU5F1
SCHEMBL4209251 0.78 KCNN4 (0.55) KCNN4ALDH1A1TSHRP2RX7L3MBTL1

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
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
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
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-7579480-B2 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2009-08-25 US disclosed
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-03-15 US disclosed
EP-1650198-A1 ALKOXYTETRAZOL-1-YLBENZALDEHYDE COMPOUND AND PROCESS FOR PRODUCING THE SAME Toyo Kasei Kogyo Company Limited (JP) 2006-04-26 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 (3 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-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 MAPK1 827/4885KCNN4 207/4885ALDH1A1 762/4885
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same ALDH7A1, NAT1, ARSA MAPK1 1725/4885KCNN4 3193/4885ALDH1A1 4/4885
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 MAPK1 866/4885KCNN4 236/4885ALDH1A1 879/4885

“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.