SCHEMBL971370

SCHEMBL971370

NC(=O)Oc1ccc2c(CC(O)c3ccccn3)c(Cc3ccccc3)c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.48
MAP2K1 Q02750 1/20 0.47
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.45
CYP19A1 P11511 1/20 0.44
STS P08842 1/20 0.43
ACLY P53396 1/20 0.43

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
SCHEMBL2246527 0.89 MAP2K1 (0.53) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL972629 0.79 ALDH1A1 (0.57) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL972176 0.77 ALDH1A1 (0.78) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL970525 0.75 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL972170 0.69 MAP2K1 (0.59) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL2245213 0.67 MAP2K1 (0.62) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL972893 0.66 KDM4E (0.55) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL970190 0.66 MAP2K1 (0.70) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL2247578 0.65 MAP2K1 (0.81) KMT2AKDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL26434307 0.65 ALDH1A1 (0.84) KMT2AKDM4EALDH1A1MEN1SMN1; 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 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 KMT2A 4821/4885KDM4E 4508/4885ALDH1A1 1402/4885

“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.