SCHEMBL1978714

SCHEMBL1978714

O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
MITF O75030 1/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ABCB1 P08183 1/20 0.45
GAA P10253 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL6312189 0.90 MITF (0.64) MAPTMITFKMT2ASLC6A2SLC6A3
SCHEMBL2972277 0.85 LMNA (0.57) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL20400703 0.84 MAPT (0.53) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL11491980 0.84 MAPT (0.62) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL20400967 0.84 L3MBTL1 (0.59) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL7342938 0.83 MYC (0.55) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL30892476 0.83 MYC (0.55) MAPTKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8061795 0.83 LMNA (0.57) MAPTMITFKMT2ASLC6A2SLC6A3
SCHEMBL15610591 0.82 RAB9A (0.61) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL2146139 0.82 HTT (0.58) MAPTKMT2ASLC6A2SLC6A3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 US disclosed
CN-108431004-B Heterocyclic compounds 武田药品工业株式会社 2021-02-12 CN disclosed
US-10787462-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-29 US disclosed
EP-3366684-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
CN-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 CN disclosed
US-20180319819-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-08 US disclosed
EP-3366684-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-08-29 EP disclosed
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed
US-20170119734-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS, INC. 2017-05-04 US disclosed
US-20170119734-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS, INC. 2017-05-04 US disclosed
US-7329685-B2 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor Xa inhibitors for the treatment of acute vascular diseases GLAXO GROUP LIMITED (GB) 2008-02-12 US disclosed
US-7329685-B2 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor Xa inhibitors for the treatment of acute vascular diseases GLAXO GROUP LIMITED (GB) 2008-02-12 US disclosed
US-7329685-B2 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor Xa inhibitors for the treatment of acute vascular diseases GLAXO GROUP LIMITED (GB) 2008-02-12 US disclosed
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
EP-1635817-B1 1-PHENYL-2-OXO-3-SULFONYLAMINO-PYRROLIDINE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR XA INHIBITORS FOR THE TREATMENT OF ACUTE VASCULAR DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060148879-A1 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor xa inhibitors for the treatment of acute vascular diseases GLAXO GROUP LIMITED (GB) 2006-07-06 US disclosed
EP-1633347-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP disclosed
WO-2004110434-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 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 (6 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-10787462-B2 Heterocyclic compound RIPK1, RIPK4, RIPK3 MAPT 4346/4885MITF 3072/4885KMT2A 1993/4885
US-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A MAPT 3464/4885MITF 1540/4885KMT2A 510/4885
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors TFPI, F2, F12 MAPT 4144/4885MITF 1761/4885KMT2A 3615/4885
US-20180319819-A1 HETEROCYCLIC COMPOUND RIPK1, RIPK4, RIPK3 MAPT 4346/4885MITF 3072/4885KMT2A 1993/4885
US-20170119734-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE FASN, ACSL1, HSD17B12 MAPT 3762/4885MITF 1849/4885KMT2A 3490/4885
US-20060148879-A1 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor xa inhibitors for the treatment of acute vascular diseases SERPINE1, PLAT, SERPINC1 MAPT 4729/4885MITF 1514/4885KMT2A 3087/4885

“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.