SCHEMBL7072014

SCHEMBL7072014

N=C(N)Nc1ccc2[nH]c(Cc3nc4ccc(C(=O)NCCc5cccc6ccccc56)cc4n3CC(O)CO)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.39
F9 P00740 4/20 0.38
NOD1 Q9Y239 4/20 0.37
TRPV1 Q8NER1 1/20 0.36
MTNR1A P48039 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOD2 Q9HC29 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 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
SCHEMBL7071907 0.91 NOD1 (0.38) ACSS2F9NOD1TRPV1MTNR1A
SCHEMBL7071922 0.89 NOD1 (0.37) ACSS2F9NOD1TRPV1MTNR1A
SCHEMBL7070421 0.88 ACSS2 (0.39) ACSS2F9NOD1TRPV1MTNR1A
SCHEMBL7068332 0.87 F2 (0.40) F9NOD1TRPV1MTNR1AALDH1A1
SCHEMBL7071888 0.86 ACSS2 (0.41) ACSS2F9NOD1TRPV1MTNR1A
SCHEMBL7073153 0.84 TSHR (0.40) ACSS2KDM4EHPGDTSHR
SCHEMBL7075076 0.84 TRPV1 (0.46) F9TRPV1MTNR1ACYP2C19
SCHEMBL7067770 0.82 NOD1 (0.37) F9NOD1TRPV1ALDH1A1NOD2
SCHEMBL7072408 0.79 ACSS2 (0.37) ACSS2F9NOD1TRPV1MTNR1A
SCHEMBL7072644 0.78 NOD1 (0.36) F9NOD1ALDH1A1NOD2

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 5 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 claimed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US claimed
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 ACSS2 609/4885F9 2202/4885NOD1 742/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885F9 3853/4885NOD1 547/4885

“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.