SCHEMBL5359353

SCHEMBL5359353

O=C(c1cc(Cl)ccc1-c1ccccc1)N(Cc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CFTR P13569 1/20 0.50
NR1D1 P20393 1/20 0.46
PIN1 Q13526 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDK1 Q15118 1/20 0.42
MC4R P32245 2/20 0.41
MC5R P33032 2/20 0.41
MC1R Q01726 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
C5AR1 P21730 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MC3R P41968 1/20 0.41

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
SCHEMBL5072408 0.87 TSHR (0.53) CFTRPIN1MEN1KMT2APDK1
SCHEMBL5071312 0.78 HDAC1 (0.51) HDAC1HDAC6CFTRCHRNB2CHRNA4
SCHEMBL5370774 0.77 PDK1 (0.48) CFTRPIN1MEN1KMT2APDK1
SCHEMBL5070018 0.76 HDAC1 (0.49) HDAC1HDAC6CFTRNR1D1CHRNB2
SCHEMBL5359598 0.76 PIN1 (0.55) PIN1MEN1KMT2ALTB4R2TSHR
SCHEMBL5074340 0.75 HDAC1 (0.53) HDAC1HDAC6CFTRMEN1KMT2A
SCHEMBL5366161 0.74 CFTR (0.54) HDAC1HDAC6CFTRNR1D1PDK1
SCHEMBL5361120 0.74 MEN1 (0.58) MEN1KMT2ALTB4R2C5AR1TSHR
SCHEMBL5353976 0.72 MEN1 (0.71) CFTRCHRNB2CHRNA4MEN1KMT2A
SCHEMBL5358691 0.72 MAPT (0.42) PIN1MEN1KMT2ALTB4R2TSHR

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
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
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

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 HDAC1 1197/4885HDAC6 2604/4885CFTR 2241/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 HDAC1 1257/4885HDAC6 2578/4885CFTR 2330/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 HDAC1 1257/4885HDAC6 2578/4885CFTR 2330/4885

“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.