SCHEMBL422736

SCHEMBL422736

O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3cc(F)cc(Cl)c3)s2)CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
RIPK1 Q13546 3/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
MGLL Q99685 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK10 P53779 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 0.91 MAPK14 (0.39) MAPK14MEN1KMT2ATP53MAPT
SCHEMBL421761 0.90 PGR (0.39) MAPK14RIPK1MEN1KMT2ATP53
SCHEMBL426459 0.90 MAPK14 (0.39) MAPK14RIPK1TP53MAPTHCRTR1
SCHEMBL424281 0.90 MAPK14 (0.42) MAPK14RIPK1RAB9ACHRM1CHRM2
SCHEMBL421601 0.88 MAPK14 (0.40) MAPK14RIPK1P2RX7HCRTR1HCRTR2
SCHEMBL421766 0.86 MAPK14 (0.39) MAPK14
SCHEMBL424176 0.84 MAPK14 (0.37) MAPK14RIPK1HCRTR1HCRTR2HPGD
SCHEMBL423833 0.84 MAPK14 (0.37) MAPK14RIPK1HCRTR1HCRTR2HPGD
SCHEMBL14748311 0.83 MAPK14 (0.34) MAPK14MEN1KMT2ATP53MAPT
SCHEMBL424682 0.83 PTGDR2 (0.38) MAPK14MEN1KMT2ATP53MAPT

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 2294/4885RIPK1 2105/4885MEN1 3775/4885

“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.