SCHEMBL421601

SCHEMBL421601

O=C1CN(C(=O)c2cc(-c3ccc(F)c(Cl)c3)c(-c3cccc(Cl)c3)s2)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
SLC9A1 P19634 2/20 0.36
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TDP2 O95551 1/20 0.33
P2RX7 Q99572 1/20 0.33
RIPK1 Q13546 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PGR P06401 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SLC6A7 Q99884 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NPC1 O15118 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
SCHEMBL10109877 0.92 MAPK14 (0.39) MAPK14SLC9A1TDP2RAB9ASLC6A3
SCHEMBL424281 0.89 MAPK14 (0.42) MAPK14SLC9A1BRD4CREBBPTDP2
SCHEMBL423833 0.88 MAPK14 (0.37) MAPK14HCRTR1HCRTR2RIPK1GAA
SCHEMBL424176 0.88 MAPK14 (0.37) MAPK14HCRTR1HCRTR2RIPK1GAA
SCHEMBL422736 0.88 MAPK14 (0.41) MAPK14HCRTR1HCRTR2P2RX7RIPK1
SCHEMBL14748311 0.84 MAPK14 (0.34) MAPK14SLC9A1HCRTR1HCRTR2RAB9A
SCHEMBL424682 0.84 PTGDR2 (0.38) MAPK14HCRTR1HCRTR2BRD4CREBBP
SCHEMBL421762 0.84 SLC5A1 (0.40) MAPK14HCRTR1HCRTR2SLC6A7
SCHEMBL421761 0.82 PGR (0.39) MAPK14HCRTR1HCRTR2RIPK1PGR
SCHEMBL422505 0.82 MAPK14 (0.41) MAPK14TDP2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546438-B2 Substituted (thiophenyl-carbonyl)imidazolidinones, and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-10-01 US disclosed
US-8546438-B2 Substituted (thiophenyl-carbonyl)imidazolidinones, and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-10-01 US disclosed
US-8546438-B2 Substituted (thiophenyl-carbonyl)imidazolidinones, and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-10-01 US disclosed
EP-2376482-B1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2013-03-06 EP disclosed
EP-2376482-B1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2013-03-06 EP disclosed
US-20120022123-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022123-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022123-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
EP-2376482-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010075962-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed
WO-2010075962-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 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-20120022123-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF TPMT, MAVS, EIF2AK2 MAPK14 2294/4885SLC9A1 3653/4885HCRTR1 3274/4885

“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.