SCHEMBL6477545

SCHEMBL6477545

NNc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ CNR2 P34972 9/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ JUN P05412 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL8396932 0.80 KDM4E (0.70) GAAKDM4EMAPTJUNNFKB1
SCHEMBL6475927 0.77 MAPT (0.60) GAACNR2KDM4ELMNAMAPT
SCHEMBL3381334 0.77 CNR2 (0.72) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL6476693 0.76 METAP2 (0.46) GAACNR2MAPTCYP1A2CYP2C9
SCHEMBL3383060 0.75 XPO1 (0.57) CNR2KDM4EJUNNFKB1NFKB2
SCHEMBL8722111 0.73 NFKB1 (0.60) GAACNR2KDM4EMAPTJUN
SCHEMBL5077116 0.71 CNR2 (0.73) CNR2MAPTALDH1A1NPSR1
SCHEMBL8395161 0.71 KDM4E (0.56) KDM4EMAPTJUNNFKB1NFKB2
SCHEMBL13069667 0.70 CNR2 (0.58) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5077163 0.70 CNR2 (0.72) CNR2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 — — US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 — — EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 — — US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 — — EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 — — US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 — — 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-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP GAA 2028/4885CNR2 2073/4885L3MBTL1 2554/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP GAA 2028/4885CNR2 2073/4885L3MBTL1 2554/4885

“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.

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