SCHEMBL6288965

SCHEMBL6288965

CN1C(=O)N(Cc2ccc(F)cc2)Cc2oc(C(=O)O)nc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.40
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRM2 Q14416 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6701897 0.85 SCD (0.52) SCDLMNAKDM4EMAPTTP53
SCHEMBL6701922 0.80 SCD (0.36) SCDRAB9AHTTPOLBLMNA
SCHEMBL6696796 0.78 RAB9A (0.38) SCDRAB9APOLBLMNAKDM4E
SCHEMBL6288787 0.77 PTGER4 (0.46) SCDMAPTTP53ALDH1A1
SCHEMBL6289016 0.76 SCD (0.43) SCDRAB9APOLBLMNAHDAC1
SCHEMBL6289326 0.72 MMP13 (0.43) SCDHDAC1
SCHEMBL6699862 0.68 MMP13 (0.36) SCDHTTKDM4ETP53TAS2R8
SCHEMBL6292196 0.67 SCD (0.54) SCDLMNAMAPTTP53ALDH1A1
SCHEMBL5189013 0.65 HDAC6 (0.50) HTTPOLBLMNAKDM4EMAPT
SCHEMBL6289018 0.65 SCD (0.42) SCDHTTLMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 SCD 1414/4885RAB9A 1847/4885HTT 4672/4885
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 SCD 2142/4885RAB9A 2501/4885HTT 4755/4885

“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.