SCHEMBL5070141

SCHEMBL5070141

Cc1ccc(-c2ccccc2C(=O)N(Cc2ccccc2)Cc2cc(C)c(O)c(C)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B2 P37059 3/20 0.46
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CFTR P13569 1/20 0.42
HSD17B1 P14061 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.39
LPAR1 Q92633 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5359241 0.83 KMT2A (0.59) TSHRMAPK1KDM4ETDP1CFTR
SCHEMBL5361690 0.81 TSHR (0.42) TSHRMAPK1HSD17B2KDM4ETDP1
SCHEMBL5071831 0.81 TACR1 (0.46) TSHRMAPK1HSD17B2KDM4EKMT2A
SCHEMBL5072410 0.79 TDP1 (0.47) TSHRMAPK1HSD17B2KDM4ETDP1
SCHEMBL5355058 0.74 TSHR (0.66) TSHRMAPK1KDM4ETDP1CFTR
SCHEMBL5370774 0.73 PDK1 (0.48) TSHRMAPK1KDM4ETDP1CFTR
SCHEMBL5135774 0.72 HSD17B2 (0.40) TSHRMAPK1HSD17B2HSD17B1KMT2A
SCHEMBL5366097 0.71 TSHR (0.55) TSHRMAPK1KDM4ETDP1KMT2A
SCHEMBL5353976 0.69 MEN1 (0.71) TSHRMAPK1KDM4ETDP1CFTR
SCHEMBL5361129 0.69 MEN1 (0.62) TSHRMAPK1KDM4ETDP1KMT2A

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 19 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
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP claimed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US 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 TSHR 207/4885MAPK1 3275/4885HSD17B2 3663/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 TSHR 198/4885MAPK1 3580/4885HSD17B2 3588/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TSHR 198/4885MAPK1 3580/4885HSD17B2 3588/4885

“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.