SCHEMBL4451257

SCHEMBL4451257

Nc1ccc(NC(=O)Cc2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
BCHE P06276 3/20 0.58
ACHE P22303 3/20 0.58
EPHX2 P34913 1/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.53
CASP6 P55212 1/20 0.53
GFER P55789 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NLRP3 Q96P20 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
CA2 P00918 4/20 0.50
CA12 O43570 3/20 0.50

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
SCHEMBL38662293 0.93 GAA (0.67) GAABCHEACHEEPHX2MAPT
SCHEMBL3453783 0.84 EPHX2 (0.76) GAABCHEACHEEPHX2MAPT
SCHEMBL22664803 0.84 EPHX2 (0.76) GAABCHEACHEEPHX2MAPT
SCHEMBL3815238 0.83 BCHE (0.56) GAABCHEACHEEPHX2MAPT
SCHEMBL24467940 0.83 NLRP3 (0.73) GAABCHEACHEEPHX2MAPT
SCHEMBL3166771 0.83 SMN1; SMN2 (0.69) GAABCHEACHEEPHX2MAPT
SCHEMBL2456637 0.83 SMN1; SMN2 (0.73) GAABCHEACHEEPHX2MAPT
SCHEMBL4420812 0.82 EPHX2 (0.79) GAABCHEACHEEPHX2MAPT
SCHEMBL4420808 0.82 EPHX2 (0.79) GAABCHEACHEEPHX2MAPT
SCHEMBL4627886 0.82 EPHX2 (0.67) GAABCHEACHEEPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124555-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS BERNATCHEZ-LEMAIRE IRMA 2009-05-14 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-20090124555-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS P2RX5, P2RX3, P2RX2 GAA 1948/4885BCHE 498/4885ACHE 358/4885

“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.