SCHEMBL972893

SCHEMBL972893

Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(N)=O)cc(F)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
ALDH1A1 P00352 11/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.53
GAA P10253 2/20 0.53
MAP2K1 Q02750 3/20 0.51
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
HPGD P15428 5/20 0.49
LMNA P02545 3/20 0.49
STS P08842 1/20 0.49
ALDH1A2 O94788 1/20 0.47
ALDH1B1 P30837 1/20 0.47
ALDH1A3 P47895 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
HSD17B3 P37058 1/20 0.47

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
SCHEMBL2245834 0.88 MAP2K1 (0.62) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL972176 0.81 ALDH1A1 (0.78) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL972746 0.74 MAP2K1 (0.60) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5331232 0.74 SLC26A3 (0.60) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL972168 0.72 MAP2K1 (0.78) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5328894 0.71 KDM4E (0.81) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3786044 0.71 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5327916 0.71 KDM4E (0.81) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL972629 0.71 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL970908 0.70 MAP2K1 (0.59) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 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-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A KDM4E 4508/4885ALDH1A1 1402/4885SMN1; SMN2 4732/4885

“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.