SCHEMBL5210323

SCHEMBL5210323

c1coc(OB(Oc2ccco2)Oc2ccco2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
PTPN1 P18031 2/20 0.33
POLB P06746 3/20 0.32
PKM P14618 2/20 0.32
PTPN7 P35236 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2962334 0.80
SCHEMBL1326408 0.75 TP53 (0.41) TP53MMP1MMP9MMP12PTPN1
Water SCHEMBL29272691 0.72 TP53 (0.39) TP53MMP1MMP9MMP12PTPN1
Water SCHEMBL29272692 0.72 TP53 (0.39) TP53MMP1MMP9MMP12PTPN1
SCHEMBL6847362 0.70
SCHEMBL3128596 0.70
SCHEMBL827212 0.70
SCHEMBL10495916 0.70
SCHEMBL10791737 0.70
SCHEMBL826030 0.70

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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 (1 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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A TP53 4877/4885MMP1 317/4885MMP9 835/4885

“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.