SCHEMBL7069778

SCHEMBL7069778

N=C(N)Nc1ccc2[nH]c(C(=O)c3nc4ccc(C(=O)NCCc5ccc6ccccc6c5)cc4n3CCO)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.40
ENPP2 Q13822 1/20 0.35
ACSS2 Q9NR19 7/20 0.34
PDE10A Q9Y233 3/20 0.34
F9 P00740 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7072408 0.85 ACSS2 (0.37) NOD1ACSS2F9HPGD
SCHEMBL7072608 0.80 KLK5 (0.39) NOD1ACSS2F9MAPT
SCHEMBL7070421 0.80 ACSS2 (0.39) NOD1ACSS2F9HPGDMAPT
SCHEMBL7071907 0.76 NOD1 (0.38) NOD1ACSS2F9
SCHEMBL7071978 0.75 PDE4A (0.39) ACSS2HPGD
SCHEMBL7068291 0.73 MAPT (0.38) ACSS2HPGDMAPTMEN1KMT2A
SCHEMBL7071922 0.73 NOD1 (0.37) NOD1ACSS2F9HPGDMAPT
SCHEMBL7075205 0.70 ACSS2 (0.39) ENPP2ACSS2MAPT
SCHEMBL7068356 0.70 ACSS2 (0.37) NOD1ACSS2HPGD
SCHEMBL7068332 0.69 F2 (0.40) NOD1F9MAPTMEN1KMT2A

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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 NOD1 742/4885ENPP2 67/4885ACSS2 609/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NOD1 547/4885ENPP2 707/4885ACSS2 746/4885

“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.