SCHEMBL5138083

SCHEMBL5138083

COc1ccc(-c2ccccc2)c(C(=O)N(Cc2ccc(F)c(F)c2)C2Cc3ccccc3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
FFAR1 O14842 1/20 0.37
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36

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
SCHEMBL5370092 0.91 MAPT (0.46) MAPTKMT2ATSHRSMN1; SMN2L3MBTL1
SCHEMBL5359275 0.89 TSHR (0.46) MAPTKMT2ATSHRSMN1; SMN2LPAR1
SCHEMBL5136488 0.89 POLB (0.49) MAPTKMT2APOLBMEN1ROCK2
SCHEMBL5136064 0.89 KMT2A (0.50) KMT2ASMN1; SMN2LPAR1L3MBTL1POLB
SCHEMBL5137469 0.88 HTR2A (0.48) MAPTKMT2ATSHRSMN1; SMN2LPAR1
SCHEMBL5135324 0.88 AGER (0.39) POLBTP53HTT
SCHEMBL5358046 0.87 MAPT (0.42) MAPTKMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL5136513 0.86 TACR1 (0.43) MAPTKMT2ASMN1; SMN2LPAR1MEN1
SCHEMBL5135285 0.86 TP53 (0.47) KMT2ATSHRSMN1; SMN2L3MBTL1MEN1
SCHEMBL5135379 0.86 KMT2A (0.46) MAPTKMT2ATSHRSMN1; SMN2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP claimed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP claimed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US disclosed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US disclosed
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (3 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 MAPT 4555/4885KMT2A 4285/4885TSHR 207/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 MAPT 4545/4885KMT2A 4155/4885TSHR 198/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 MAPT 4545/4885KMT2A 4155/4885TSHR 198/4885

“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.