Sugi Predict

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SCHEMBL7072608

SCHEMBL7072608

Cn1c(C(=O)c2nc3cc(NC(=N)N)ccc3[nH]2)nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ ACSS2 Q9NR19 2/20 0.38
▸ MTNR1A P48039 3/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MTNR1B P49286 2/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ F9 P00740 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL7072408 0.90 ACSS2 (0.37) TRPV1ACSS2MTNR1ACYP2C19L3MBTL1
SCHEMBL7070421 0.88 ACSS2 (0.39) TRPV1ACSS2MTNR1ACYP2C19MAPT
SCHEMBL7075205 0.88 ACSS2 (0.39) TRPV1ACSS2MTNR1ACYP2C19MAPT
SCHEMBL7068332 0.86 F2 (0.40) TRPV1MTNR1AMAPTALDH1A1HSD17B10
SCHEMBL7070345 0.84 TRPV1 (0.37) TRPV1ACSS2MTNR1ACYP2C19MAPT
SCHEMBL7069727 0.83 TRPV1 (0.36) TRPV1ACSS2MTNR1ACYP2C19MAPT
SCHEMBL7068291 0.81 MAPT (0.38) KLK5ACSS2MAPTHSD17B10NPC1
SCHEMBL7075076 0.81 TRPV1 (0.46) TRPV1MTNR1ACYP2C19MAPTMTNR1B
SCHEMBL7071907 0.80 NOD1 (0.38) TRPV1ACSS2MTNR1ACYP2C19TDP1
SCHEMBL7069778 0.80 NOD1 (0.40) ACSS2MAPTF9NOD1

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 KLK5 592/4885TRPV1 823/4885ACSS2 609/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 KLK5 1235/4885TRPV1 954/4885ACSS2 746/4885

“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.