SCHEMBL1890141

SCHEMBL1890141

CC(O)c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 2/20 0.38
PDK1 Q15118 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CASP6 P55212 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL12572189 1.00 S100A4 (0.40) S100A4TRPV1TSHRCYP3A4CYP1A2
SCHEMBL27839175 0.86 PDK1 (0.44) S100A4TRPV1CYP1A2PDK1MEN1
SCHEMBL2015830 0.83 S100A4 (0.40) S100A4TRPV1TSHRCYP3A4CYP1A2
SCHEMBL16955592 0.83 S100A4 (0.40) S100A4TRPV1TSHRCYP3A4CYP1A2
SCHEMBL4307215 0.82 S100A4 (0.37) S100A4TRPV1TSHRCYP3A4CYP1A2
SCHEMBL1582827 0.81 TSHR (0.58) TSHRCYP3A4MEN1KMT2AALDH1A1
SCHEMBL9477771 0.81 BACE1 (0.44) TSHRCYP3A4CYP1A2PDK1LMNA
SCHEMBL30556448 0.80 S100A4 (0.41) S100A4TRPV1TSHRCYP3A4CYP1A2
SCHEMBL29062251 0.80 S100A4 (0.41) S100A4TRPV1TSHRCYP3A4CYP1A2
SCHEMBL9815413 0.79 TSHR (0.55) TSHRCYP3A4PDK1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400228-B1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF TABOMEDEX BIOSCIENCES INC (US) 2022-04-13 EP disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
EP-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
US-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC 2018-11-08 US disclosed
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2018-08-28 US disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 US disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 US disclosed
US-20080188380-A1 PHOTOLABILE COMPOUND, OLIGOMER PROBE ARRAY AND SUBSTRATE FOR OLIGOMER PROBE ARRAY CONTAINING THE SAME, AND MANUFACTURING METHOD OF THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-08-07 US disclosed
US-20080188380-A1 PHOTOLABILE COMPOUND, OLIGOMER PROBE ARRAY AND SUBSTRATE FOR OLIGOMER PROBE ARRAY CONTAINING THE SAME, AND MANUFACTURING METHOD OF THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-08-07 US disclosed
US-20080188380-A1 PHOTOLABILE COMPOUND, OLIGOMER PROBE ARRAY AND SUBSTRATE FOR OLIGOMER PROBE ARRAY CONTAINING THE SAME, AND MANUFACTURING METHOD OF THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-08-07 US disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same SAMSUNG ELECTRONICS CO., LTD (KR) 2008-03-06 US disclosed
US-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same SAMSUNG ELECTRONICS CO., LTD (KR) 2008-03-06 US disclosed
US-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same SAMSUNG ELECTRONICS CO., LTD (KR) 2008-03-06 US 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 (7 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-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 S100A4 4730/4885TRPV1 2167/4885TSHR 4761/4885
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 S100A4 4730/4885TRPV1 2167/4885TSHR 4761/4885
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 S100A4 4730/4885TRPV1 2167/4885TSHR 4761/4885
US-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same APBA1, B3GNT2, PCNA S100A4 866/4885TRPV1 2369/4885TSHR 4157/4885
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 S100A4 4730/4885TRPV1 2167/4885TSHR 4761/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 S100A4 4220/4885TRPV1 439/4885TSHR 486/4885
US-20080188380-A1 PHOTOLABILE COMPOUND, OLIGOMER PROBE ARRAY AND SUBSTRATE FOR OLIGOMER PROBE ARRAY CONTAINING THE SAME, AND MANUFACTURING METHOD OF THE SAME APBA1, APP, PPOX S100A4 1808/4885TRPV1 1215/4885TSHR 4231/4885

“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.