SCHEMBL7074791

SCHEMBL7074791

Cc1noc(-c2ccccc2OCCNC(=O)c2ccc3nc(C(C)c4nc5cc(-n6ccnc6)ccc5[nH]4)n(C)c3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
TPSAB1 Q15661 3/20 0.35
TPSD1 Q9BZJ3 3/20 0.35
TPSG1 Q9NRR2 3/20 0.35
F9 P00740 1/20 0.34
NAMPT P43490 4/20 0.34
HPGD P15428 2/20 0.34
ACSS2 Q9NR19 1/20 0.32

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
SCHEMBL7070332 0.88 DRD2 (0.38) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7068233 0.88 DRD2 (0.43) MAPTTP53DRD2DRD3ADRB2
SCHEMBL7072209 0.88 TPSAB1 (0.39) MAPTTP53GAATPSAB1TPSD1
SCHEMBL7071953 0.87 MAPT (0.39) MAPTTP53GAATPSAB1TPSD1
SCHEMBL7069733 0.87 DRD2 (0.37) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7073168 0.86 NPC1 (0.41) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7071895 0.86 DRD3 (0.38) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7072628 0.86 ADRB2 (0.37) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7069146 0.85 PDE4A (0.38) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7069807 0.85 HPGD (0.40) DRD2DRD3ADRB2ADRB1ADRB3

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 MAPT 2104/4885TP53 3162/4885GAA 69/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MAPT 2289/4885TP53 2387/4885GAA 181/4885

“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.