Sugi Predict

Sugi Predict / Compounds / SCHEMBL7072028

SCHEMBL7072028

SCHEMBL7072028

COc1ccccc1CCNC(=O)c1ccc2nc(Cc3nc4cc(NC(=N)N)ccc4[nH]3)n(CCCS(=O)(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK10 P53779 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SNCA P37840 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
SCHEMBL7072644 0.90 NOD1 (0.36) POLBMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7067770 0.86 NOD1 (0.37) TDP1MAPTMEN1KMT2ATSHR
SCHEMBL7071922 0.83 NOD1 (0.37) MAPTALDH1A1SMN1; SMN2TP53HSD17B10
SCHEMBL7071907 0.82 NOD1 (0.38) TDP1TSHRTP53
SCHEMBL7068332 0.79 F2 (0.40) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL7073509 0.79 PDE4A (0.38) POLBMAPTTSHRMAPK10NPC1
SCHEMBL7073153 0.79 TSHR (0.40) MAPTTSHRMAPK10NPC1RAB9A
SCHEMBL7128797 0.78 TRPV1 (0.34) TP53
SCHEMBL7072413 0.78 MAPT (0.43) POLBMAPTMEN1KMT2ATSHR
SCHEMBL7072014 0.77 ACSS2 (0.39) TDP1TSHRALDH1A1

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 POLB 2637/4885TDP1 1691/4885MAPT 2104/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 POLB 2297/4885TDP1 2602/4885MAPT 2289/4885

“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.