SCHEMBL4454379

SCHEMBL4454379

N#CCc1ccc(Oc2ccccc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
RIPK1 Q13546 1/20 0.37
SLC6A2 P23975 1/20 0.37
TTR P02766 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6562924 0.80 ALDH1A1 (0.45) FFAR1MEN1KMT2AALDH1A1HPGD
SCHEMBL4824572 0.79 HRH1 (0.55) FFAR1SLC6A4HTR2AHRH1RIPK1
SCHEMBL4448343 0.79 TTR (0.51) SLC6A4HTR2AHRH1RIPK1SLC6A2
SCHEMBL536544 0.78 LTA4H (0.58) HRH1TTRLTA4HTSHRKMT2A
SCHEMBL7648320 0.77 HRH1 (0.41) SLC6A4HTR2AHRH1RIPK1SLC6A2
SCHEMBL15345849 0.77 HRH1 (0.49) SLC6A4HRH1RIPK1SLC6A2TTR
SCHEMBL7852798 0.77 HRH1 (0.41) SLC6A4HTR2AHRH1RIPK1SLC6A2
SCHEMBL7650237 0.75 HRH1 (0.42) SLC6A4HTR2AHRH1RIPK1SLC6A2
SCHEMBL4447070 0.75 HRH1 (0.64) SLC6A4HRH1LTA4H
SCHEMBL7861077 0.73 CAMK2A (0.60) FFAR1TTRCAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
EP-1625111-A4 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2007-04-25 EP disclosed
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-16 US disclosed
EP-1625111-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP disclosed
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-05 US disclosed
WO-2004093800-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-11-04 WO disclosed
EP-0779271-B1 Naphthyl acetamides as sPLA2 inhibitors LILLY CO ELI (US) 2001-08-01 EP disclosed
US-6160175-A Naphthyl acetamides as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2000-12-12 US disclosed
WO-1997021664-A1 NAPHTHYL ACETAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-06-19 WO disclosed
EP-0779271-A1 Naphthyl acetamides as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1997-06-18 EP 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB FFAR1 1840/4885SLC6A4 397/4885HTR2A 426/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB FFAR1 1794/4885SLC6A4 401/4885HTR2A 460/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB FFAR1 1840/4885SLC6A4 397/4885HTR2A 426/4885

“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.