SCHEMBL13365579

SCHEMBL13365579

N=NCC(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ MCL1 Q07820 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ HTT P42858 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL3087061 0.80 GAA (0.73) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL2286641 0.79 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL13655633 0.77 GAA (0.54) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL7610019 0.76 CYP2D6 (0.61) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL622501 0.76 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL392625 0.76 ALDH1A1 (0.82) GAAKMT2AMEN1ALDH1A1HPGD
SCHEMBL1186049 0.76 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL414454 0.76 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL3074777 0.76 GAA (0.61) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL16714720 0.75 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 — — US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 — — US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 — — 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-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS TREH, TALDO1, LIPE GAA 319/4885KMT2A 1865/4885MEN1 345/4885

“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.

Send feedback