SCHEMBL2221920

SCHEMBL2221920

COc1cc(/C=C/C(=O)c2cccc(N)c2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.68
KDM1A O60341 1/20 0.66
CXCL12 P48061 9/20 0.65
TUBB4A P04350 1/20 0.65
TUBB P07437 1/20 0.65
TUBA3C P0DPH7 1/20 0.65
TUBA1B P68363 1/20 0.65
TUBA4A P68366 1/20 0.65
TUBB4B P68371 1/20 0.65
TUBB3 Q13509 1/20 0.65
TUBB2A Q13885 1/20 0.65
TUBB8 Q3ZCM7 1/20 0.65
TUBA3E Q6PEY2 1/20 0.65
TUBA1A Q71U36 1/20 0.65
TUBA1C Q9BQE3 1/20 0.65
TUBB6 Q9BUF5 1/20 0.65
TUBB2B Q9BVA1 1/20 0.65
TUBB1 Q9H4B7 1/20 0.65
CXCR4 P61073 1/20 0.64
NR1H4 Q96RI1 1/20 0.64

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
SCHEMBL2221923 1.00 RELA (0.68) RELAKDM1ACXCL12TUBB4ATUBB
SCHEMBL29803052 0.90 NR1H4 (0.74) RELANR1H4CA1CA2PTGS2
SCHEMBL16257539 0.90 NR1H4 (0.74) RELANR1H4CA1CA2PTGS2
SCHEMBL16257540 0.87 ABCB1 (0.65) NR1H4CA1CA2PTPN1PTGS1
SCHEMBL25205526 0.87 CA1 (0.82) CXCL12TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5474413 0.86 ABCG2 (0.75) RELACXCL12TUBB4ATUBBTUBA3C
SCHEMBL13068505 0.86 CXCL12 (0.74) RELACXCL12TUBB4ATUBBTUBA3C
SCHEMBL5474417 0.86 ABCG2 (0.75) RELACXCL12TUBB4ATUBBTUBA3C
SCHEMBL5598912 0.85 CXCL12 (0.82) CXCL12TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2032114 0.85 CXCL12 (0.82) CXCL12TUBB4ATUBBTUBA3CTUBA1B

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
US-8889874-B2 Imidazolone-chalcone derivatives as potential anticancer agent and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-11-18 US disclosed
US-8889874-B2 Imidazolone-chalcone derivatives as potential anticancer agent and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-11-18 US disclosed
EP-2523941-B1 IMIDAZOLONE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-10-15 EP disclosed
US-20130066081-A1 IMIDAZOLONE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-03-14 US disclosed
EP-2523941-A2 IMIDAZOLONE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2012-11-21 EP disclosed
WO-2011086412-A2 IMIDAZOLONE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-07-21 WO 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-20130066081-A1 IMIDAZOLONE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF SIK1, SIK2, SIK3 RELA 2491/4885KDM1A 2416/4885CXCL12 1672/4885

“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.