SCHEMBL7073158

SCHEMBL7073158

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCCc5ccncc5)cc4n3C)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.39
PTAFR P25105 1/20 0.34
TBXAS1 P24557 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
NPY5R Q15761 1/20 0.33
GAA P10253 1/20 0.33
ROCK2 O75116 1/20 0.33
GRK2 P25098 1/20 0.33
ACSS2 Q9NR19 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
SCHEMBL7073312 0.84 TRPV1 (0.37) GAAACSS2
SCHEMBL7073496 0.83 NPC1 (0.46) NAMPTSMN1; SMN2ACSS2
SCHEMBL7072326 0.82 TPSAB1 (0.41) SMN1; SMN2
SCHEMBL7072285 0.82 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL7071920 0.82 MAPT (0.35) GAAACSS2
SCHEMBL7072504 0.82 GAA (0.38) SMN1; SMN2GAAACSS2
SCHEMBL7074863 0.82 GAA (0.36) NAMPTSMN1; SMN2GAAACSS2
SCHEMBL7075212 0.82 NPC1 (0.43) TSHR
SCHEMBL7072576 0.82 GAA (0.37) SMN1; SMN2GAAACSS2
SCHEMBL7075741 0.81 TGM2 (0.38) SMN1; SMN2TSHRGAA

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 NAMPT 1724/4885PTAFR 585/4885TBXAS1 817/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NAMPT 1469/4885PTAFR 1174/4885TBXAS1 699/4885

“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.