SCHEMBL5137148

SCHEMBL5137148

COc1cc(CN(Cc2ccc(Cl)s2)C(=O)c2ccccc2-n2cccc2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
TACR1 P25103 1/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
NR1D1 P20393 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
KLK1 P06870 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 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
SCHEMBL5136230 0.91 TDP1 (0.50) TSHRTDP1ALDH1A1NR1D1KDM4E
SCHEMBL5135928 0.85 TAS1R3 (0.42) TSHRTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL5138035 0.82 TDP1 (0.49) TSHRTDP1L3MBTL1TACR1ALDH1A1
SCHEMBL5136780 0.81 TSHR (0.40) TSHRTDP1L3MBTL1TACR1KMT2A
SCHEMBL5137105 0.79 P2RX7 (0.39) TSHRTDP1L3MBTL1TACR1LMNA
SCHEMBL5072160 0.79 TSHR (0.39) TSHRTDP1L3MBTL1TACR1KMT2A
SCHEMBL5135018 0.78 SLC2A1 (0.47) TSHRTDP1L3MBTL1TACR1KMT2A
SCHEMBL5135828 0.77 TDP1 (0.57) TSHRTDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL5134683 0.77 TSHR (0.50) TSHRTDP1KMT2ASMN1; SMN2MEN1
SCHEMBL5136943 0.74 TSHR (0.51) TSHRTDP1KMT2AMEN1KLK1

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 15 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
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
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
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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 207/4885TDP1 4028/4885L3MBTL1 1782/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 TSHR 198/4885TDP1 4185/4885L3MBTL1 1859/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TSHR 198/4885TDP1 4185/4885L3MBTL1 1859/4885

“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.