Sugi Predict

Sugi Predict / Compounds / SCHEMBL7072290

SCHEMBL7072290

SCHEMBL7072290

Cn1c(Cc2nc3cc(C(=O)N4Cc5ccccc5C4=O)ccc3[nH]2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ HDAC6 Q9UBN7 7/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PTGER4 P35408 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ACSL1 P33121 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ AURKA O14965 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ F2 P00734 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
SCHEMBL7072661 0.89 HPGD (0.39) KMT2AKDM4EHPGDAURKAMEN1
SCHEMBL7072284 0.81 KMT2A (0.45) KMT2AKDM4EALDH1A1GAATHRB
SCHEMBL7068107 0.75 HDAC6 (0.45) KDM4EALDH1A1HPGDHDAC6
SCHEMBL7478557 0.72 NPSR1 (0.43) KMT2AKDM4EALDH1A1GAATHRB
SCHEMBL1200850 0.69 ACHE (0.46) KMT2AKDM4EALDH1A1MEN1
SCHEMBL7476975 0.69 F2 (0.50) ALDH1A1MAPK1F2
SCHEMBL7477456 0.68 GLP1R (0.44) ALDH1A1MAPK1ACSL1
SCHEMBL7402998 0.68 F10 (0.58) PIK3CDPIK3CBPIK3CAPIK3CGF2
SCHEMBL7404219 0.68 F10 (0.64) F2
SCHEMBL7072646 0.67 KMT2A (0.55) KMT2AHPGDHDAC6HDAC1MEN1

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 KMT2A 3958/4885KDM4E 3525/4885ALDH1A1 1860/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 KMT2A 3040/4885KDM4E 1583/4885ALDH1A1 729/4885

“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.