SCHEMBL7071918

SCHEMBL7071918

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCCC(=O)O)cc2n1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.39
ITGA2B P08514 14/20 0.39
ACSS2 Q9NR19 2/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
BRD4 O60885 1/20 0.34
HRAS P01112 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL7075972 0.91 CYP1A2 (0.37) ACSS2TPSAB1TPSD1TPSG1BRD4
SCHEMBL7071857 0.87 ACSS2 (0.39) ITGB3ITGA2BACSS2TPSAB1TPSD1
SCHEMBL7073370 0.86 TPSAB1 (0.42) TPSAB1TPSD1TPSG1
SCHEMBL7073556 0.86 TPSAB1 (0.39) ACSS2TPSAB1TPSD1TPSG1
SCHEMBL7067665 0.85 TPSAB1 (0.36) ACSS2TPSAB1TPSD1TPSG1
SCHEMBL7070345 0.85 TRPV1 (0.37) ACSS2
SCHEMBL7072025 0.84 TPSAB1 (0.36) ACSS2TPSAB1TPSD1TPSG1
SCHEMBL7075123 0.84 PDE4A (0.42) TPSAB1TPSD1TPSG1
SCHEMBL7072722 0.84 MAPT (0.38) ACSS2TPSAB1TPSD1TPSG1
SCHEMBL7069773 0.84 F10 (0.41) TPSAB1TPSD1TPSG1

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 ITGB3 1846/4885ITGA2B 2582/4885ACSS2 609/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ITGB3 1351/4885ITGA2B 2552/4885ACSS2 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.