SCHEMBL6700327

SCHEMBL6700327

CN1C(=O)N(Cc2ccc(F)c(F)c2)Cc2nc(C(=O)NCc3ccccc3)[nH]c21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.43
PTGER4 P35408 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR3 Q99500 7/20 0.41
SCD O00767 1/20 0.41
CACNA1G O43497 3/20 0.40
CACNA1H O95180 3/20 0.40
CACNA1I Q9P0X4 3/20 0.40
MMP13 P45452 2/20 0.39
NTRK1 P04629 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6822444 0.92 NAMPT (0.40) PTGER4S1PR3SCDCACNA1GCACNA1H
Picolamine SCHEMBL6818745 0.91 S1PR3 (0.40) CLPPHPGDS1PR3SCDALDH1A1
SCHEMBL6703428 0.86 ALDH1A1 (0.39) CLPPPOLBNTRK1ALDH1A1
SCHEMBL6696562 0.81 PTGER4 (0.42) CLPPPTGER4S1PR3SCDCACNA1G
SCHEMBL6704025 0.81 SCD (0.44) CLPPPTGER4S1PR3SCDCACNA1G
SCHEMBL6822445 0.78 ALDH1A1 (0.37) CLPPPOLBALDH1A1
SCHEMBL6700576 0.78 CLPP (0.39) CLPP
SCHEMBL6705194 0.75 SMN1; SMN2 (0.47) PTGER4S1PR3SCDALDH1A1
SCHEMBL6289387 0.74 MMP13 (0.39) PTGER4POLBHPGDTDP1S1PR3
SCHEMBL6700843 0.73 POLB (0.44) PTGER4POLBHPGDTDP1S1PR3

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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 CLPP 3282/4885PTGER4 1609/4885POLB 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.