SCHEMBL6316932

SCHEMBL6316932

N=C(N)c1ccc(N2CCOC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.51
PRSS1 P07477 4/20 0.51
PRSS3 P35030 3/20 0.51
PRSS2 P07478 2/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
RCOR1 Q9UKL0 2/20 0.49
F10 P00742 3/20 0.49
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
F9 P00740 2/20 0.43
ITGB3 P05106 8/20 0.42

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
SCHEMBL1377736 0.85 KDM1A (0.53) KDM1AMAOAMAOBRCOR1F10
SCHEMBL27828556 0.81 KDM1A (0.50) KDM1AMAOAMAOBRCOR1F10
SCHEMBL1019042 0.80 ALDH1A1 (0.56) KDM1AMAOAMAOBRCOR1F10
SCHEMBL1377738 0.79 KDM1A (0.46) KDM1AMAOAMAOBRCOR1F10
SCHEMBL2430289 0.79 L3MBTL1 (0.51) KDM1AMAOAMAOBRCOR1TNKS
SCHEMBL458678 0.79 KDM1A (0.53) KDM1AMAOAMAOBRCOR1F10
SCHEMBL2646792 0.78 KDM1A (0.45) KDM1AMAOAMAOBRCOR1F10
Hydrochloric Acid SCHEMBL1950539 0.76 F9 (0.80) KDM1AMAOAMAOBRCOR1F10
SCHEMBL1015595 0.75 ALDH1A1 (0.52) KDM1AMAOAMAOBRCOR1F10
SCHEMBL2433064 0.75 GSK3B (0.59) KDM1AMAOAMAOBRCOR1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143582-A1 Method for producing substituted 3-phenylamino-propane-1,2-diols MERCK PATENT GMBH (DE) 2005-06-30 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-20050143582-A1 Method for producing substituted 3-phenylamino-propane-1,2-diols HPD, PAH, DHPS F2 463/4885PRSS1 1520/4885PRSS3 2401/4885

“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.