SCHEMBL442954

SCHEMBL442954

O=C(O)c1cccc2oc(-c3cc(F)cc(F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.49
TOP2A P11388 2/20 0.49
IDO1 P14902 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTR3A P46098 2/20 0.43
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.40
UTRN P46939 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL121392 0.87 HTR3A (0.54) DHODHTOP2AIDO1MAOAMAOB
SCHEMBL28926584 0.85 TOP2A (0.59) DHODHTOP2AIDO1MAOAMAOB
SCHEMBL121325 0.83 TOP2A (0.65) DHODHTOP2AIDO1MAOAMAOB
SCHEMBL439207 0.83 MAOA (0.56) DHODHTOP2AIDO1MAOAMAOB
SCHEMBL2961027 0.79 TOP2A (0.54) DHODHTOP2AIDO1MAOAMAOB
SCHEMBL440072 0.79 DHODH (0.49) DHODHTOP2AIDO1MAOAMAOB
SCHEMBL16383496 0.79 TOP2A (0.54) DHODHTOP2AIDO1MAOAMAOB
SCHEMBL121768 0.79 IKBKB (0.51) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL442096 0.79 TOP2A (0.48) TOP2AIDO1MAOAMAOBKMT2A
SCHEMBL206232 0.78 TOP2A (0.56) DHODHTOP2AIDO1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587821-B1 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2008-08-20 EP claimed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US claimed
US-20220184041-A1 (AZA)Benzothiazolyl Substituted Pyrazole Compounds PFIZER INC. (US) 2022-06-16 US disclosed
WO-2022112919-A1 (AZA)BENZOTHIAZOLYL SUBSTITUTED PYRAZOLE COMPOUNDS PFIZER INC. (US) 2022-06-02 WO disclosed
WO-2020128816-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING A COMBINATION OF A BENZOXAZOLE TRANSTHYRETIN STABILIZER AND AN ADDITIONAL THERAPEUTIC AGENT PFIZER INC. (US) 2020-06-25 WO disclosed
EP-2325651-B1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2014-10-08 EP disclosed
US-20140134753-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-15 US disclosed
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
CN-101413143-B Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST 2013-09-18 CN disclosed
US-8168663-B2 Pharmaceutically acceptable salt of 6-carboxy-2-(3,5 dichlorophenyl)-benzoxazole, and a pharmaceutical composition comprising the salt thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
EP-1587821-A4 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2007-05-09 EP disclosed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-20070078186-A1 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE 2007-04-05 US disclosed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US disclosed
EP-1587821-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING The Scripps Research Institute (US) 2005-10-26 EP disclosed
US-20040152140-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE 2004-08-05 US disclosed
WO-2004056315-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-08 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-20070078186-A1 Methods for treating transthyretin amyloid diseases TTR, TTPA, PRNP DHODH 1898/4885TOP2A 1567/4885IDO1 4580/4885
US-20220184041-A1 (AZA)Benzothiazolyl Substituted Pyrazole Compounds TTR, APOB, SERPINB6 DHODH 1851/4885TOP2A 1145/4885IDO1 4213/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP DHODH 1409/4885TOP2A 1658/4885IDO1 4600/4885

“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.