SCHEMBL522650

SCHEMBL522650

c1cnc2c(NCCNc3cccc4cccnc34)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 5/20 0.59
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
KDM4E B2RXH2 2/20 0.59
BLM P54132 2/20 0.59
NSD2 O96028 1/20 0.59
HTT P42858 3/20 0.59
GLO1 Q04760 3/20 0.59
ALOX15 P16050 2/20 0.59
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 4/20 0.54
HSP90AA1 P07900 3/20 0.53
HSP90AB1 P08238 2/20 0.53
APAF1 O14727 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52

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
SCHEMBL1507837 0.92 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9850493 0.91 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14842870 0.89 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9180960 0.89 HTT (0.57) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9850412 0.89 HSP90AA1 (0.55) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL11149010 0.86 HTT (0.54) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9850257 0.86 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8993821 0.85 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL1907592 0.85 GLO1 (0.60) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL27751330 0.85 HTT (0.53) MEN1KMT2AMAPTALDH1A1L3MBTL1

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 MEN1 2773/4885KMT2A 1971/4885MAPT 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.