Sugi Predict

Sugi Predict / Compounds / SCHEMBL222437

SCHEMBL222437

SCHEMBL222437

O=C(CBr)Nc1ccc(Cl)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.69
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ RAB9A P51151 7/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ TSHR P16473 3/20 0.63
▸ PTK2 Q05397 1/20 0.62
▸ MAPK1 P28482 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MEN1 O00255 1/20 0.56

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
SCHEMBL29883158 0.84 TDP1 (0.71) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL2944497 0.84 TDP1 (0.71) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL2188598 0.84 TDP1 (0.71) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL19090370 0.83 TDP1 (0.73) TDP1L3MBTL1RAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL1503943 0.83 TDP1 (0.69) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL18286136 0.83 TDP1 (0.73) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL11034892 0.83 TDP1 (0.69) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL27886037 0.83 TDP1 (0.73) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL6108157 0.82 F10 (0.62) TDP1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL23933096 0.81 TDP1 (1.00) TDP1L3MBTL1RAB9ANPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 — — US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 — — US disclosed
EP-3302468-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE The Scripps Research Institute (US) 2018-04-11 — — EP disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 — — WO disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 — — EP disclosed
CN-101208334-B Novel cyclic amines HOFFMANN LA ROCHE 2012-06-13 — — CN disclosed
US-8088925-B2 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2012-01-03 — — US disclosed
CN-101180296-B Heteroaryl-carboxylic acid (sulfamoyl alkyl) amide - derivatives as factor Xa inhibitors SANOFI AVENTIS 2011-10-19 — — CN disclosed
US-7910606-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-22 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
EP-1479676-A1 Benzimidazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 — — EP disclosed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 — — US disclosed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 — — US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 — — EP disclosed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 — — WO disclosed
EP-1433788-A1 Pyrazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-30 — — EP disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 — — WO disclosed
EP-1426364-A1 Imidazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-09 — — EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 — — US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — 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 (5 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-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors F11, F5, F12 TDP1 801/4885L3MBTL1 3136/4885RAB9A 540/4885
US-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 TDP1 745/4885L3MBTL1 1248/4885RAB9A 3026/4885
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 TDP1 520/4885L3MBTL1 4165/4885RAB9A 1456/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 TDP1 1138/4885L3MBTL1 2623/4885RAB9A 968/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 TDP1 745/4885L3MBTL1 1248/4885RAB9A 3026/4885

“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.