SCHEMBL522565

SCHEMBL522565

c1ccc(N(Cc2cccc(CN(c3ccccc3)c3ccccc3)n2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNA3 P22001 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
NR3C2 P08235 1/20 0.35
DHFR P00374 2/20 0.35
PGK1 P00558 1/20 0.34

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
SCHEMBL4370206 0.78 MAPT (0.59) TAAR1MAPTNPSR1GRIN2DGRIN3B
SCHEMBL4379430 0.78 CYSLTR1 (0.50) MAPTHDAC1CYP1A2
SCHEMBL4367341 0.72 ATM (0.45) TAAR1CYP1A2
SCHEMBL13113428 0.72 TAAR1 (0.42) KCNH2TAAR1CRHBPCRHR2GRIN2D
SCHEMBL7496917 0.71 DHFR (0.38) TAAR1MAPTDHFR
SCHEMBL918512 0.70 NR3C2 (0.56) KCNH2TAAR1HDAC1HDAC8HDAC6
SCHEMBL9215401 0.70 HDAC1 (0.60) KCNH2TAAR1HDAC1HDAC8HDAC6
SCHEMBL29662047 0.70 TAAR1 (0.42) TAAR1HDAC1HDAC8HDAC6KCNA3
SCHEMBL631574 0.70 TAAR1 (0.46) TAAR1MAPTHDAC1HDAC8HDAC6
SCHEMBL522953 0.69 ALDH1A1 (0.44) KCNH2TAAR1MAPTNPSR1GRIN2D

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 3359/4885TAAR1 1167/4885MAPT 2830/4885

“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.