SCHEMBL7084586

SCHEMBL7084586

N=C(N)c1cccc(CN(C(=O)O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
LOXL2 Q9Y4K0 1/20 0.51
F10 P00742 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48

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
SCHEMBL7089328 0.84 PRSS1 (0.61) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL28986105 0.83 NPC1 (0.61) TSHRGAANPC1ALDH1A1GLA
SCHEMBL27589166 0.81 PRSS1 (0.46) PRSS1PRSS2PRSS3LOXL2F10
Carbamic Acid SCHEMBL6468271 0.81 NPC1 (0.62) TSHRGAANPC1ALDH1A1GLA
SCHEMBL14662383 0.81 PRSS1 (0.57) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL7083845 0.79 MEN1 (0.56) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL9226512 0.79 MEP1B (0.51) TSHRGAANPC1ALDH1A1GLA
SCHEMBL1927016 0.79 ALDH1A1 (0.69) TSHRGAANPC1ALDH1A1GLA
SCHEMBL6981412 0.78 PTPN1 (0.53) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL7090549 0.77 GRIN2D (0.57) PRSS1PRSS2PRSS3LOXL2F10

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-20030199698-A1 Carbamic acid esters as inhibitors of factor xa MERCK PATENT GMBH (DE) 2003-10-23 US claimed

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-20030199698-A1 Carbamic acid esters as inhibitors of factor xa F11, F12, F13A1 PRSS1 102/4885PRSS2 295/4885PRSS3 628/4885

“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.