SCHEMBL426734

SCHEMBL426734

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.39
HCRTR2 O43614 14/20 0.39
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.88 MAPK14 (0.39) NPC1RAB9ATP53THRBSMN1; SMN2
SCHEMBL14748327 0.87 TSHR (0.46) HCRTR1HCRTR2NPC1TP53SMN1; SMN2
SCHEMBL423778 0.85 RAB9A (0.38) NPC1RAB9ATP53THRBSMN1; SMN2
SCHEMBL421601 0.81 MAPK14 (0.40) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL14748311 0.80 MAPK14 (0.34) HCRTR1HCRTR2NPC1RAB9ATP53
SCHEMBL424682 0.80 PTGDR2 (0.38) HCRTR1HCRTR2TP53
SCHEMBL422736 0.80 MAPK14 (0.41) HCRTR1HCRTR2NPC1RAB9ATP53
SCHEMBL421762 0.78 SLC5A1 (0.40) HCRTR1HCRTR2
SCHEMBL424176 0.77 MAPK14 (0.37) HCRTR1HCRTR2
SCHEMBL423833 0.77 MAPK14 (0.37) HCRTR1HCRTR2

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 HCRTR1 3274/4885HCRTR2 3650/4885NPC1 435/4885

“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.