Sugi Predict

Sugi Predict / Compounds / SCHEMBL7072226

SCHEMBL7072226

SCHEMBL7072226

CC(c1nc2cc(C(=O)NCCOc3ccccc3C(=O)O)ccc2[nH]1)c1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.42
▸ ADRB1 P08588 4/20 0.42
▸ ADRB3 P13945 4/20 0.42
▸ DRD2 P14416 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ F9 P00740 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ CYP4Z1 Q86W10 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NAMPT P43490 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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 0.91 DRD2 (0.38) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7074837 0.88 ACSS2 (0.39) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7074538 0.88 ACSS2 (0.40) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7070091 0.86 DRD3 (0.37) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7069733 0.83 DRD2 (0.37) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7071895 0.82 DRD3 (0.38) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7072628 0.82 ADRB2 (0.37) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7068233 0.82 DRD2 (0.43) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7072070 0.82 DRD2 (0.36) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL7069146 0.81 PDE4A (0.38) ADRB2ADRB1ADRB3DRD2DRD3

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 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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 — — EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 — — WO 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 ADRB2 3450/4885ADRB1 2694/4885ADRB3 1875/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ADRB2 2283/4885ADRB1 1935/4885ADRB3 772/4885

“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.