SCHEMBL562289

SCHEMBL562289

COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
USP2 O75604 4/20 0.53
MAPT P10636 6/20 0.52
HTT P42858 3/20 0.52
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
CASP1 P29466 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL562770 0.87 ALDH1A1 (0.68) ALDH1A1NPSR1MEN1KMT2AUSP2
SCHEMBL562822 0.80 MYB (0.61) ALDH1A1NPSR1MEN1KMT2AUSP2
SCHEMBL29460082 0.80 MYB (0.61) ALDH1A1NPSR1MEN1KMT2AUSP2
SCHEMBL6706771 0.77 GAA (0.73) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6705972 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL3129599 0.74 ALDH1A1 (0.72) ALDH1A1NPSR1MEN1KMT2AUSP2
SCHEMBL10046494 0.73 GAA (0.56) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28664531 0.70 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL14904060 0.69 GAA (0.51) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL5548111 0.69 ALDH1A1 (0.66) ALDH1A1NPSR1MEN1KMT2AUSP2

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-20130345420-A9 SELECTIVE INHIBITORS OF EXCITATORY AMINO ACID TRANSPORTER SUBTYPE 1 (EAAT1/GLAST) BUNCH LENNART (DK) 2013-12-26 US disclosed
US-20120035361-A1 SELECTIVE INHIBITORS OF EXCITATORY AMINO ACID TRANSPORTER SUBTYPE 1 (EAAT1/GLAST) BUNCH LENNART (DK) 2012-02-09 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 (2 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-20120035361-A1 SELECTIVE INHIBITORS OF EXCITATORY AMINO ACID TRANSPORTER SUBTYPE 1 (EAAT1/GLAST) SLC1A1, SLC1A2, SLC1A3 ALDH1A1 520/4885NPSR1 822/4885MEN1 3547/4885
US-20130345420-A9 SELECTIVE INHIBITORS OF EXCITATORY AMINO ACID TRANSPORTER SUBTYPE 1 (EAAT1/GLAST) SLC1A1, SLC1A2, SLC1A3 ALDH1A1 520/4885NPSR1 822/4885MEN1 3547/4885

“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.