SCHEMBL633382

SCHEMBL633382

O=C(OCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3342132 0.91 ALDH1A1 (0.36) GAAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL4939139 0.80 SMN1; SMN2 (0.49) GAAL3MBTL1KMT2AMEN1POLB
SCHEMBL632708 0.78 CRBN (0.39) MAPTHDAC1HDAC6
SCHEMBL632597 0.76 CRBN (0.39) LMNASMN1; SMN2MAPTHDAC1HDAC6
SCHEMBL18923303 0.76 GAA (0.47) GAAL3MBTL1KMT2AMEN1POLB
SCHEMBL4938878 0.75 GAA (0.43) GAAL3MBTL1KMT2AMEN1LMNA
SCHEMBL4936308 0.75 GAA (0.43) GAAL3MBTL1KMT2AMEN1POLB
SCHEMBL4936241 0.75 DDB1 (0.43) GAAL3MBTL1KMT2AMEN1LMNA
SCHEMBL4938895 0.74 LMNA (0.47) GAAL3MBTL1KMT2AMEN1POLB
SCHEMBL632924 0.74 CRBN (0.41) MAPTHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 EP disclosed
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 US disclosed
EP-2093228-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-08-26 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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 GAA 3854/4885L3MBTL1 2864/4885KMT2A 4760/4885

“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.