SCHEMBL3301057

SCHEMBL3301057

Cn1c(=O)oc2cc(CC(N)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL5656500 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHTR1ASLC6A2
SCHEMBL2154696 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHTR1ASLC6A2
SCHEMBL13156347 0.81 PKM (0.49) ALDH1A1KDM4EHPGDHTR1ASLC6A2
SCHEMBL17316702 0.80 KDM4E (0.46) ALDH1A1KDM4EHPGDHTR1ASLC6A2
SCHEMBL10081599 0.80 PKM (0.57) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL9437718 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHTR1ASLC6A2
SCHEMBL5658301 0.79 PKM (0.50) ALDH1A1KDM4EHPGDHTR1ASLC6A2
SCHEMBL1161574 0.78 PKM (0.49) ALDH1A1KDM4EHPGDHTR1AKMT2A
SCHEMBL2112483 0.78 KDM4E (0.56) ALDH1A1KDM4EHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL10981754 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHTR1ASLC6A2

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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 ALDH1A1 469/4885KDM4E 1419/4885HPGD 2890/4885

“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.