SCHEMBL531386

SCHEMBL531386

Cn1c[n+](C)c2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
MAPT P10636 7/20 0.41
KDM4E B2RXH2 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
HBB P68871 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
APEX1 P27695 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
HIF1A Q16665 1/20 0.41
BRPF1 P55201 2/20 0.41
ADRA2C P18825 1/20 0.34
ALDH1A1 P00352 6/20 0.33
GFER P55789 2/20 0.33

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
SCHEMBL21049608 0.78 MAPT (0.39) MAPTKDM4EMEN1KMT2AHTT
Water SCHEMBL21824327 0.69 ALOX15 (0.47) MAPTKDM4EKMT2AHTTSMN1; SMN2
Iodide SCHEMBL30731330 0.69 ALOX15 (0.50) MAPTKDM4EKMT2AHTTLMNA
Iodide SCHEMBL1744004 0.69 ALOX15 (0.50) MAPTKDM4EKMT2AHTTLMNA
SCHEMBL351390 0.66 KDM4E (0.50) PRKCIMAPTKDM4EMEN1KMT2A
SCHEMBL29433546 0.66 KDM4E (0.50) PRKCIMAPTKDM4EMEN1KMT2A
SCHEMBL3279875 0.64 PRKCI (0.39) PRKCIMAPTKDM4EMEN1KMT2A
Formic Acid SCHEMBL29271990 0.63 ALOX15 (0.45) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL28344213 0.63 PRKCI (0.46) PRKCIMAPTKDM4EMEN1KMT2A
Bicarbonate SCHEMBL17911350 0.62 ALOX15 (0.41) MAPTKDM4EMEN1KMT2ALMNA

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-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 PRKCI 1855/4885MAPT 1818/4885KDM4E 2660/4885

“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.