SCHEMBL7068356

SCHEMBL7068356

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCc3cccc4ccccc34)cc2n1CCCCO

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 8/20 0.37
CXCR4 P61073 6/20 0.35
TRPV1 Q8NER1 1/20 0.34
TP53 P04637 1/20 0.34
NOD1 Q9Y239 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 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
SCHEMBL7128797 0.93 TRPV1 (0.34) ACSS2CXCR4TRPV1TP53NOD1
SCHEMBL7070345 0.90 TRPV1 (0.37) ACSS2TRPV1NOD1ALDH1A1HSD17B10
SCHEMBL7071888 0.90 ACSS2 (0.41) ACSS2TRPV1NOD1KDM4EALDH1A1
SCHEMBL7069727 0.86 TRPV1 (0.36) ACSS2TRPV1NOD1ALDH1A1HSD17B10
SCHEMBL7072408 0.84 ACSS2 (0.37) ACSS2CXCR4TRPV1TP53NOD1
SCHEMBL7071922 0.84 NOD1 (0.37) ACSS2CXCR4TRPV1TP53NOD1
SCHEMBL7071907 0.81 NOD1 (0.38) ACSS2TRPV1TP53NOD1MTNR1A
SCHEMBL7067795 0.80 F9 (0.37) ACSS2
SCHEMBL7073124 0.79 ACSS2 (0.38) ACSS2TRPV1TP53ALDH1A1MTNR1A
SCHEMBL7068332 0.79 F2 (0.40) TRPV1TP53NOD1ALDH1A1HSD17B10

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 ACSS2 609/4885CXCR4 2356/4885TRPV1 823/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885CXCR4 3142/4885TRPV1 954/4885

“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.