SCHEMBL970525

SCHEMBL970525

NC(=O)Oc1ccc2c(-c3cccnc3)c(Cc3ccccc3)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAP2K1 Q02750 2/20 0.48
CYP19A1 P11511 3/20 0.46
HPGD P15428 2/20 0.45
STS P08842 1/20 0.45
VKORC1 Q9BQB6 1/20 0.44
ALDH1A2 O94788 1/20 0.43
ALDH1B1 P30837 1/20 0.43
ALDH1A3 P47895 1/20 0.43
PKM P14618 1/20 0.43
ACLY P53396 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2249686 0.88 MAP2K1 (0.55) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL972176 0.79 ALDH1A1 (0.78) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL972629 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL971370 0.75 KMT2A (0.50) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL2247578 0.67 MAP2K1 (0.81) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL972170 0.67 MAP2K1 (0.59) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL972893 0.66 KDM4E (0.55) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL4803963 0.66 NPC1 (0.57) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL8934606 0.66 CYP19A1 (0.80) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL27615591 0.65 MKNK1 (0.63) ALDH1A1SMN1; SMN2CYP19A1PKM

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 ALDH1A1 1402/4885KDM4E 4508/4885KMT2A 4821/4885

“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.