SCHEMBL523040

SCHEMBL523040

CNCCCc1cccc(CCCNC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
NOS2 P35228 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
APP P05067 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CTSK P43235 1/20 0.42
SLC6A4 P31645 2/20 0.41
HRH1 P35367 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL16015472 0.92 KCNH2 (0.53) KCNH2MEN1KMT2ANOS3NOS1
SCHEMBL20109276 0.91 KCNH2 (0.47) KCNH2MEN1KMT2ANOS3NOS1
SCHEMBL20298968 0.82 KCNH2 (0.46) KCNH2MEN1KMT2ANOS3NOS1
SCHEMBL4067485 0.78 HRH3 (0.79) MEN1KMT2AHRH3APPTAAR1
SCHEMBL4344334 0.76 METAP2 (0.47) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL8783649 0.75 HRH3 (0.53) KCNH2MEN1KMT2ANOS3NOS1
SCHEMBL1404092 0.75 KCNH2 (0.83) KCNH2NOS1NOS2NPSR1
SCHEMBL20481012 0.74 SUCNR1 (0.47) HRH3APPTAAR1LMNAALDH1A1
SCHEMBL5046126 0.74 HRH3 (0.52) KCNH2NOS1NOS2HRH3APP
SCHEMBL248521 0.73 KCNH2 (0.95) KCNH2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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 (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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 KCNH2 3359/4885MEN1 2773/4885KMT2A 1971/4885

“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.