SCHEMBL5355058

SCHEMBL5355058

Cc1ccccc1-c1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
MAPK1 P28482 1/20 0.66
KDM4E B2RXH2 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TACR1 P25103 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
CFTR P13569 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 1/20 0.47
LPAR1 Q92633 2/20 0.47
LPAR5 Q9H1C0 2/20 0.47

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
SCHEMBL14134227 0.82 TSHR (0.58) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5353976 0.82 MEN1 (0.71) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5361129 0.82 MEN1 (0.62) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5366097 0.81 TSHR (0.55) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5364546 0.81 TSHR (0.59) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5365384 0.81 TDP1 (0.62) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5361710 0.81 TDP1 (0.58) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5361153 0.81 TSHR (0.55) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5359241 0.79 KMT2A (0.59) TSHRMAPK1KDM4EKMT2AMEN1
SCHEMBL5358590 0.79 KMT2A (0.58) TSHRMAPK1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US claimed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US claimed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
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-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP 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 TSHR 207/4885MAPK1 3275/4885KDM4E 3896/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 TSHR 198/4885MAPK1 3580/4885KDM4E 3737/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TSHR 198/4885MAPK1 3580/4885KDM4E 3737/4885

“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.