SCHEMBL801206

SCHEMBL801206

N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc(C(=O)ON2C(=O)CCC2=O)cc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
HTT P42858 2/20 0.51
KLK7 P49862 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 7/20 0.46
ST14 Q9Y5Y6 1/20 0.46
MAPK1 P28482 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 2/20 0.43
PKM P14618 2/20 0.43
PSMD14 O00487 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
SCHEMBL783008 0.79 MAPK1 (0.60) MAPTHTTKLK7CA12CA1
SCHEMBL801547 0.79 MAPK1 (0.60) MAPTHTTKLK7CA12CA1
SCHEMBL801568 0.78 ALDH1A1 (0.54) MAPTCA12CA1CA2CA9
SCHEMBL783130 0.77 CA12 (0.46) MAPTHTTKLK7CA12CA1
SCHEMBL13400585 0.72 EGFR (0.52) MAPTKMT2AMAPK1LMNAMEN1
SCHEMBL801195 0.70 ALDH1A1 (0.45) MAPTHTTCA12CA1CA2
SCHEMBL22046417 0.70 F3 (0.44) MAPTHTTCA12CA1CA2
SCHEMBL28552143 0.69 CA12 (0.73) MAPTHTTKLK7CA12CA1
SCHEMBL14202628 0.69 MAPT (0.66) MAPTHTTKLK7CA12CA1
SCHEMBL13189947 0.69 ALDH1A1 (0.46) MAPTHTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
WO-2010100238-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-10 WO disclosed
EP-2226314-A1 Cross-linking agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2010-09-08 EP 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-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC MAPT 3833/4885HTT 2865/4885KLK7 3851/4885

“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.