Sugi Predict

Sugi Predict / Compounds / SCHEMBL7069160

SCHEMBL7069160

SCHEMBL7069160

Cn1c(Cc2nc3cc(NC(=N)N)ccc3[nH]2)nc2ccc(C(=O)NCCOc3ccccc3C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ PPARG P37231 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TPSAB1 Q15661 3/20 0.38
▸ TPSD1 Q9BZJ3 3/20 0.38
▸ TPSG1 Q9NRR2 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35

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
SCHEMBL7072410 0.94 MAPT (0.43) MAPTNPC1HSD17B10RAB9ASMN1; SMN2
SCHEMBL7072413 0.88 MAPT (0.43) MAPTNPC1HSD17B10RAB9ASMN1; SMN2
SCHEMBL7364157 0.88 MAPT (0.42) MAPTNPC1HSD17B10RAB9ASMN1; SMN2
SCHEMBL7126111 0.87 MAPT (0.40) MAPTPPARGNPC1HSD17B10RAB9A
SCHEMBL7072722 0.86 MAPT (0.38) MAPTPPARGNPC1SMN1; SMN2TPSAB1
SCHEMBL7071781 0.84 F10 (0.42) MAPTPPARGNPC1TP53TPSAB1
SCHEMBL7068332 0.82 F2 (0.40) MAPTNPC1HSD17B10RAB9ASMN1; SMN2
SCHEMBL7069767 0.82 TPSAB1 (0.37) MAPTNPC1RAB9ATPSAB1TPSD1
SCHEMBL7073172 0.81 ACSS2 (0.39) MAPTNPC1HSD17B10TPSAB1TPSD1
SCHEMBL7071802 0.81 TPSAB1 (0.37) MAPTNPC1HSD17B10RAB9ASMN1; SMN2

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 MAPT 2104/4885PPARG 3725/4885NPC1 1362/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MAPT 2289/4885PPARG 1905/4885NPC1 3932/4885

“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.