Sugi Predict

Sugi Predict / Compounds / SCHEMBL7071815

SCHEMBL7071815

SCHEMBL7071815

NCc1ccc2[nH]c(Cc3nc4cc(C(=O)NCCC(=O)O)ccc4[nH]3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PRMT1 Q99873 2/20 0.39
▸ SUV39H1 O43463 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ F9 P00740 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7074425 0.90 ALDH1A1 (0.46) ALDH1A1PRMT1SUV39H1POLBHTT
SCHEMBL7075759 0.88 FLT3 (0.49) ALDH1A1PRMT1POLBHTTF9
SCHEMBL7068309 0.88 NAMPT (0.50) ALDH1A1POLBNAMPTMAPTPKM
SCHEMBL7073351 0.87 FLT3 (0.46) ALDH1A1PRMT1SUV39H1POLBHTT
SCHEMBL7069769 0.86 POLB (0.50) ALDH1A1POLBHTTNAMPTHDAC6
SCHEMBL7070258 0.85 PLAU (0.53) ALDH1A1POLBMAPTMAPK1THRB
SCHEMBL7069837 0.85 ALDH1A1 (0.47) ALDH1A1POLBHTTNAMPTMAPT
SCHEMBL7400914 0.85 HDAC6 (0.49) ALDH1A1POLBHTTNAMPTMAPT
SCHEMBL7075818 0.84 NPC1 (0.55) ALDH1A1POLBHTTMAPTMAPK1
SCHEMBL7073473 0.83 HTR2C (0.47) ALDH1A1MAPT

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 ALDH1A1 1860/4885ITGB3 1846/4885ITGA2B 2582/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ALDH1A1 729/4885ITGB3 1351/4885ITGA2B 2552/4885

“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.