SCHEMBL133451

SCHEMBL133451

NC=CCC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.53
PARK7 Q99497 1/20 0.51
NSD2 O96028 2/20 0.47
HKDC1 Q2TB90 2/20 0.47
PTPRC P08575 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
CDC25B P30305 2/20 0.41
PTPRF P10586 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
SLC2A1 P11166 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL13624709 0.76 PTPN1 (0.61) PTPN1PARK7NSD2HKDC1PTPRC
SCHEMBL4278290 0.75 CDC25B (0.41) PTPN1NSD2HKDC1PTPRCKDM4E
SCHEMBL13611379 0.69 PTPN1 (0.75) PTPN1PARK7NSD2HKDC1PTPRC
SCHEMBL11322423 0.69 PTPN1 (1.00) PTPN1PARK7NSD2HKDC1PTPRC
SCHEMBL7777410 0.69 MEN1 (0.45) PTPN1PARK7NSD2HKDC1KDM4E
SCHEMBL7580200 0.68 PTPN1 (0.71) PTPN1PARK7NSD2HKDC1PTPRC
SCHEMBL128020 0.66 S100A4 (0.53) PTPN1PARK7NSD2HKDC1KDM4E
SCHEMBL30673380 0.66 S100A4 (0.53) PTPN1PARK7NSD2HKDC1KDM4E
SCHEMBL5656926 0.65 DPP4 (0.43) ALDH1A1L3MBTL1
4-Amino-[1,2]Naphthoquinone SCHEMBL422308 0.65 PTPN1 (1.00) PTPN1NSD2HKDC1PTPRCKDM4E

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-2426212-A1 Method for controlling NAD(P)/NAD(P)H ratio by oxidoreductase Md Bioalpha Co., Ltd. (KR) 2012-03-07 EP claimed
EP-2426212-A1 Method for controlling NAD(P)/NAD(P)H ratio by oxidoreductase Md Bioalpha Co., Ltd. (KR) 2012-03-07 EP disclosed
US-20090215145-A1 METHOD FOR CONTROLLING NAD(P)/NAD(P)H RATIO BY OXIDOREDUCTASE MD BIOALPHA CO., LTD. (KR) 2009-08-27 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-20090215145-A1 METHOD FOR CONTROLLING NAD(P)/NAD(P)H RATIO BY OXIDOREDUCTASE NQO1, NADK, ME2 PTPN1 3820/4885PARK7 946/4885NSD2 3169/4885

“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.