SCHEMBL6696796

SCHEMBL6696796

CN1C(=O)N(Cc2ccc(F)cc2)Cc2oc(C#CCc3ccc(F)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
SCD O00767 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.34
GRM2 Q14416 2/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP13 P45452 1/20 0.32
CLPP Q16740 1/20 0.32
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6289349 0.96 SCD (0.38) RAB9ASCDPOLBLMNAKDM4E
SCHEMBL6701922 0.92 SCD (0.36) RAB9ASCDPOLBLMNAKDM4E
SCHEMBL6289326 0.84 MMP13 (0.43) SCDMMP13HDAC1
SCHEMBL6288965 0.78 SCD (0.40) RAB9ASCDPOLBLMNAKDM4E
SCHEMBL6699862 0.77 MMP13 (0.36) SCDKDM4ETAS2R8TDP1MMP13
SCHEMBL6288801 0.73 MAPT (0.37) RAB9APOLBMAPTTSHRALDH1A1
SCHEMBL6289018 0.73 SCD (0.42) SCDLMNAKDM4EMAPTTSHR
SCHEMBL6701897 0.71 SCD (0.52) SCDLMNAKDM4EMAPTALDH1A1
SCHEMBL6699545 0.71 MMP13 (0.39) RAB9ASCDPOLBLMNAMAPT
SCHEMBL6920079 0.69 MMP13 (0.38) SCDLMNAALDH1A1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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 (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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 RAB9A 2501/4885SCD 2142/4885POLB 678/4885

“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.