SCHEMBL1765079

SCHEMBL1765079

COCCOc1cccc(-c2cc(C(=O)O)nn2-c2cccc(Cl)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 2/20 0.60
SLC16A3 O15427 1/20 0.53
SLC16A1 P53985 1/20 0.53
MCTS1 Q9ULC4 1/20 0.53
NSD2 O96028 1/20 0.52
NSD1 Q96L73 1/20 0.52
NSD3 Q9BZ95 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52
HPSE Q9Y251 1/20 0.52
RPA1 P27694 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MDM2 Q00987 2/20 0.51
MCL1 Q07820 2/20 0.51
BCL2 P10415 1/20 0.51
CCKAR P32238 1/20 0.50
MARS1 P56192 2/20 0.48

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
SCHEMBL1765082 0.91 PPP1CA (0.64) PPP1CASLC16A3SLC16A1MCTS1NSD2
SCHEMBL1764874 0.89 PPP1CA (0.61) PPP1CASLC16A3SLC16A1MCTS1NSD2
SCHEMBL1765420 0.88 FAAH (0.55) PPP1CASLC16A3SLC16A1MCTS1CCKAR
SCHEMBL1765024 0.87 PPP1CA (0.68) PPP1CASLC16A3SLC16A1MCTS1NSD2
SCHEMBL3428415 0.86 SLC16A3 (0.52) PPP1CASLC16A3SLC16A1MCTS1CCKAR
SCHEMBL1765293 0.84 MDM2 (0.68) PPP1CASLC16A3SLC16A1MCTS1RPA1
SCHEMBL1764960 0.84 HRH3 (0.56) PPP1CANSD2NSD1NSD3LPAR5
SCHEMBL1765447 0.82 CCKAR (0.52) PPP1CASLC16A3SLC16A1MCTS1CCKAR
SCHEMBL1765063 0.82 PPP1CA (0.82) PPP1CARPA1L3MBTL1MARS1
SCHEMBL1110689 0.80 PPP1CA (0.64) PPP1CASLC16A3SLC16A1MCTS1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101977908-B (pyrazolyl carbonyl) imidazolidinone derivatives for the treatment of retroviral diseases AICURIS GMBH & CO KG 2014-04-23 CN disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
CN-101977908-A (pyrazolyl carbonyl) imidazolidinone derivatives for the treatment of retroviral diseases AICURIS GMBH & CO KG 2011-02-16 CN disclosed
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO PPP1CA 1664/4885SLC16A3 2453/4885SLC16A1 2093/4885

“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.