SCHEMBL121325

SCHEMBL121325

O=C(O)c1cccc2oc(-c3ccccc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.65
DHODH Q02127 2/20 0.55
HTR3A P46098 1/20 0.53
RCE1 Q9Y256 1/20 0.50
ALDH1A1 P00352 3/20 0.49
IDO1 P14902 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
IKBKB O14920 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL28926584 0.95 TOP2A (0.59) TOP2ADHODHHTR3ARCE1ALDH1A1
SCHEMBL16383496 0.89 TOP2A (0.54) TOP2ADHODHHTR3AALDH1A1IDO1
SCHEMBL2961027 0.89 TOP2A (0.54) TOP2ADHODHHTR3ARCE1ALDH1A1
SCHEMBL204764 0.89 TOP2A (0.61) TOP2ADHODHHTR3ARCE1ALDH1A1
SCHEMBL120321 0.88 HTR3A (0.54) TOP2ADHODHHTR3AALDH1A1IDO1
SCHEMBL121392 0.88 HTR3A (0.54) TOP2ADHODHHTR3AALDH1A1IDO1
SCHEMBL205351 0.88 TOP2A (0.53) TOP2ADHODHHTR3AALDH1A1IDO1
SCHEMBL206232 0.88 TOP2A (0.56) TOP2ADHODHHTR3AALDH1A1IDO1
SCHEMBL3710917 0.86 TOP2A (0.58) TOP2ADHODHHTR3ARCE1ALDH1A1
SCHEMBL7434524 0.85 TOP2A (0.88) TOP2ADHODHHTR3AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448852-C Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2009-01-07 CN claimed
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-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US claimed
WO-2022107166-A1 NOVEL CRYSTALLINE FORM OF TAFAMIDIS AND ITS PROCESS THEREOF NATCO PHARMA LIMITED (IN) 2022-05-27 WO disclosed
US-20160185739-A1 Solid Forms Of A Transthyretin Dissociation Inhibitor PFIZER (US) 2016-06-30 US disclosed
CN-103781770-B Transthyretin dissociates the solid form of inhibitor PFIZER INC. (US) 2016-04-13 CN disclosed
US-9249112-B2 Solid forms of a transthyretin dissociation inhibitor PFIZER INC. (US) 2016-02-02 US disclosed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-20150031735-A1 SOLID FORMS OF A TRANSTHYRETIN DISSOCIATION INHIBITOR PFIZER (US) 2015-01-29 US disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 US disclosed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US disclosed
CN-1747965-A Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2006-03-15 CN 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
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 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 (4 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-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885DHODH 2821/4885HTR3A 3/4885
US-20150031735-A1 SOLID FORMS OF A TRANSTHYRETIN DISSOCIATION INHIBITOR TTR, TPMT, TTPA TOP2A 1131/4885DHODH 773/4885HTR3A 4362/4885
US-20160185739-A1 Solid Forms Of A Transthyretin Dissociation Inhibitor TTR, TPMT, TTPA TOP2A 1131/4885DHODH 773/4885HTR3A 4362/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP TOP2A 1658/4885DHODH 1409/4885HTR3A 4510/4885

“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.