SCHEMBL7067770

SCHEMBL7067770

N=C(N)Nc1ccc2[nH]c(CCc3nc4ccc(C(=O)NCCc5cccc6ccccc56)cc4n3CCCS(=O)(=O)O)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.37
TP53 P04637 3/20 0.37
F9 P00740 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NOD2 Q9HC29 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7071922 0.88 NOD1 (0.37) NOD1TP53F9SMN1; SMN2MAPT
SCHEMBL7072644 0.87 NOD1 (0.36) NOD1TP53F9SMN1; SMN2MAPT
SCHEMBL7071907 0.87 NOD1 (0.38) NOD1TP53F9TRPV1NOD2
SCHEMBL7072028 0.86 POLB (0.43) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7128797 0.85 TRPV1 (0.34) NOD1TP53TRPV1CA12CA1
SCHEMBL7068332 0.84 F2 (0.40) NOD1TP53F9SMN1; SMN2MAPT
SCHEMBL7072014 0.82 ACSS2 (0.39) NOD1F9TRPV1NOD2TSHR
SCHEMBL7075076 0.81 TRPV1 (0.46) F9MAPTTRPV1CA12CA1
SCHEMBL7072408 0.80 ACSS2 (0.37) NOD1TP53F9TRPV1ALDH1A1
SCHEMBL7068356 0.78 ACSS2 (0.37) NOD1TP53TRPV1ALDH1A1

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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NOD1 547/4885TP53 2387/4885F9 3853/4885

“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.