SCHEMBL8074509

SCHEMBL8074509

CCCCC=C1C(=O)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
METAP1 P53582 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
OGT O15294 1/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CCR6 P51684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28150934 0.94 TSHR (0.41) TSHRLMNAMMP2MMP3MMP9
SCHEMBL10615670 0.82 GSK3B (0.42) TSHRLMNAKDM4EMAPTOGT
SCHEMBL8024284 0.78 MAPT (0.39) LMNAMETAP1KDM4EMAPTOGT
SCHEMBL13024507 0.75 ADH1B (0.42) LMNAMMP2MMP3MMP9METAP1
SCHEMBL4909312 0.72 SMN1; SMN2 (0.55) LMNAKDM4EMAPTBLMMEN1
SCHEMBL5824304 0.70 NFKB1 (0.50) TSHRKDM4ENFKB1NFKB2RELA
SCHEMBL29029409 0.70 TSHR (0.44) TSHRKDM4ENFKB1NFKB2RELA
SCHEMBL20786806 0.69 PTPN1 (0.46) TSHRLMNAMEN1KMT2APOLB
SCHEMBL31212613 0.68 GSK3B (0.45) LMNAKDM4EMAPTOGTUSP2
SCHEMBL2987621 0.67 CCR6 (0.39) TSHRLMNAKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106345521-A 5-arylidenebarbituric acid derivative and preparation method thereof by simple catalysis 马鞍山市泰博化工科技有限公司 2017-01-25 CN disclosed
CN-106345521-A 5-arylidenebarbituric acid derivative and preparation method thereof by simple catalysis 马鞍山市泰博化工科技有限公司 2017-01-25 CN disclosed
US-20160235752-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF NEW ORLEANS (US) 2016-08-18 US disclosed
WO-2015048634-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT THE UNIVERSITY OF NEW ORLEANS (US) 2015-04-02 WO disclosed
US-7728222-B2 A photoelectric conversion device comprising an organic dye-sensitizing semiconductor fine particle thin film is prepared by using a dye having a barbituric acid structure as a partial structure and by adsorbing the dye on a semiconductor thin NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-01 US disclosed
EP-1043318-A1 SALTS OF 5,5'-ARYLIDENEBISBARBITURIC AND 5,5'-ARYLIDENEBIS(2-THIOBARBITURIC) ACIDS AND 5,5'-ARYLIDENEBIS(2-THIOBARBITURIC) ACIDS HAVING AN ANTIBACTERIAL, ANTI-CHLAMYDIAL, ANTIVIRAL AND IMMUNO-MODULATING ACTIVITY Tets, Viktor Veniaminovich (RU) 2000-10-11 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-20160235752-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, ELANE, CLPP TSHR 4782/4885LMNA 1053/4885MMP2 1093/4885

“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.