SCHEMBL906558

SCHEMBL906558

c1ccc(-c2ccc(Cc3ccn[nH]3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.47
COMT P21964 2/20 0.43
LMNA P02545 4/20 0.41
USP2 O75604 1/20 0.41
HRH2 P25021 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGDS O60760 2/20 0.39
LTA4H P09960 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MME P08473 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7068594 0.88 TAAR1 (0.47) SCN4ALMNAUSP2HRH2TAAR1
SCHEMBL1570369 0.77 USP2 (0.53) LMNAUSP2HRH2NPC1RAB9A
SCHEMBL27953115 0.73 SCN4A (0.51) SCN4ACOMTLMNANPC1RAB9A
SCHEMBL269952 0.72 CALM1 (0.65) LMNATAAR1ALDH1A1LTA4HTSHR
SCHEMBL1149871 0.71 USP2 (0.55) SCN4ACOMTLMNAUSP2HRH2
SCHEMBL1570877 0.70 POLB (0.57) ALDH1A1KDM4ESMN1; SMN2KCNH2TSHR
SCHEMBL27326 0.70 CALM1 (0.71) LMNATAAR1ALDH1A1LTA4HTSHR
SCHEMBL27647887 0.69 TAAR1 (0.43) COMTLMNATAAR1HRH3TSHR
Methane SCHEMBL9562367 0.68 CALM1 (0.67) LMNATAAR1ALDH1A1LTA4HTSHR
SCHEMBL27942544 0.68 NTRK1 (0.49) LMNAUSP2HRH2KCNH2TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020988-A3 METHOD AND APPARATUS TO ENABLE SWITCHING BETWEEN TWO CARRIERS IN A CELLULAR COMMUNICATION NETWORK SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-05-10 WO disclosed
US-20120094913-A1 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE BETHESDA PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20110046188-A1 COMPOSITIONS COMPRISING NOVEL PPAR LIGANDS AND ANTI-HYPERLIPEMIC AGENTS BETHESDA PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-7867991-B2 Compositions comprising novel PPAR ligands and anti-hyperlipemic agents BETHESDA PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
EP-1886683-B1 Novel PPAR ligands that do not cause fluid retention edema or congestive heart failure BETHESDA PHARMACEUTICALS INC (US) 2010-11-10 EP disclosed
US-7812046-B2 PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20080242712-A1 Identification and uses of novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS (US) 2008-10-02 US disclosed
EP-1886683-A1 Novel PPAR ligands that do not cause fluid retention edema or congestive heart failure Bethesda Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
EP-1878427-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure Bethesda Pharmaceuticals, Inc. (US) 2008-01-16 EP disclosed
US-20080009536-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
EP-1839660-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure Bethesda Pharmaceuticals, Inc. (US) 2007-10-03 EP disclosed
US-20070203213-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070185070-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7232828-B2 PPAR Ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
EP-1536785-B1 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE BETHESDA PHARMACEUTICALS INC (US) 2007-05-30 EP disclosed
US-20070054949-A1 Compositions comprising novel PPAR ligands and anti-hyperlipemic agents BETHESDA PHARMACEUTICALS, INC. 2007-03-08 US disclosed
EP-1536785-A4 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE BETHESDA PHARMACEUTICALS INC (US) 2005-11-16 EP disclosed
EP-1536785-A2 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE Bethesda Pharmaceuticals, Inc. (US) 2005-06-08 EP disclosed
US-20040127443-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004014308-A2 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE BETHESDA PHARMACEUTICALS, INC. (US) 2004-02-19 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 (8 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-20080242712-A1 Identification and uses of novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure PPARA, PPARG, PPARD SCN4A 2937/4885COMT 4121/4885LMNA 1993/4885
US-20080009536-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure PPARA, PPARG, PPARD SCN4A 2896/4885COMT 3904/4885LMNA 2046/4885
US-20110046188-A1 COMPOSITIONS COMPRISING NOVEL PPAR LIGANDS AND ANTI-HYPERLIPEMIC AGENTS HDLBP, PPARA, PPARG SCN4A 3196/4885COMT 2268/4885LMNA 1444/4885
US-20070185070-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure PPARA, PPARG, PPARD SCN4A 2896/4885COMT 3904/4885LMNA 2046/4885
US-20120094913-A1 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE PPARA, PPARG, PPARD SCN4A 2896/4885COMT 3904/4885LMNA 2046/4885
US-20040127443-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure PPARA, PPARG, PPARD SCN4A 2896/4885COMT 3904/4885LMNA 2046/4885
US-20070054949-A1 Compositions comprising novel PPAR ligands and anti-hyperlipemic agents HDLBP, PPARA, PPARG SCN4A 3196/4885COMT 2268/4885LMNA 1444/4885
US-20070203213-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure PPARA, PPARG, PPARD SCN4A 2896/4885COMT 3904/4885LMNA 2046/4885

“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.