SCHEMBL5465233

SCHEMBL5465233

COc1ccc(C)c(N[C]=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.43
P2RX7 Q99572 2/20 0.42
S1PR4 O95977 1/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
F10 P00742 1/20 0.40
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
KEAP1 Q14145 1/20 0.38
SHMT2 P34897 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL7528839 0.85 GAA (0.53) GAAMEN1KMT2AP2RX7S1PR4
SCHEMBL1758610 0.81 KMT2A (0.53) GAAMEN1KMT2AMAPK1MAPT
SCHEMBL1188763 0.80 RAB9A (0.42) GAAMEN1KMT2AP2RX7MAPT
SCHEMBL2203557 0.78 ALDH1A1 (0.56) GAAMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL2095306 0.76 RAB9A (0.44) GAAMEN1KMT2AMAPK1MAPT
SCHEMBL1758615 0.76 GAA (0.50) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL9228069 0.76 GAA (0.46) GAAMEN1KMT2AMAPK1P2RX7
SCHEMBL11473042 0.75 MAPT (0.38) GAAMEN1KMT2AMAPK1MAPT
SCHEMBL15127720 0.75 NQO2 (0.51) GAAMEN1KMT2AMAPK1P2RX7
SCHEMBL3704664 0.74 GAA (0.61) GAAMEN1KMT2AMAPK1P2RX7

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 GAA 2285/4885MEN1 2892/4885KMT2A 2948/4885

“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.