SCHEMBL16620840

SCHEMBL16620840

O=C(O)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
AR P10275 5/20 0.56
HTT P42858 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 2/20 0.56
CES2 O00748 1/20 0.56
ABCB11 O95342 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
TBXA2R P21731 1/20 0.56
AADAC P22760 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA1A P35348 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
SCHEMBL16620838 1.00 LMNA (0.56) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL4959122 0.88 AR (0.71) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL4959126 0.88 AR (0.71) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL2011026 0.84 AR (0.66) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL11596924 0.82 AR (0.50) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL9827302 0.82 AR (0.53) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL29790609 0.81 AR (0.55) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL11177493 0.80 KIF11 (0.55) LMNAARHTTSMN1; SMN2MAPK1
SCHEMBL2853073 0.80 LMNA (0.73) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2853072 0.80 LMNA (0.73) LMNAHTTSMN1; SMN2MAPK1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-07-14 US disclosed
EP-3521286-B1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2021-09-29 EP disclosed
US-11124501-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-09-21 US disclosed
EP-3521286-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 Cancer Research Technology Ltd. (GB) 2019-08-07 EP disclosed
US-20190106413-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-04-11 US disclosed
EP-3052492-B1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2019-03-27 EP disclosed
US-10189821-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-01-29 US disclosed
US-9701664-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-07-11 US disclosed
US-20170037036-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR I CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-02-09 US disclosed
US-20160289216-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-06 US disclosed
EP-3052492-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 Cancer Research Technology Limited (GB) 2016-08-10 EP disclosed
WO-2015049535-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-04-09 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 (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-20190106413-A1 INHIBITOR COMPOUNDS HSF1, HSP90AB1, HSP90AA1 LMNA 3096/4885AR 3197/4885HTT 394/4885
US-10189821-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 LMNA 3165/4885AR 2595/4885HTT 850/4885
US-20170037036-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR I HSF1, HSP90AB1, HSPB1 LMNA 3165/4885AR 2595/4885HTT 850/4885
US-20160289216-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 LMNA 3356/4885AR 2554/4885HTT 769/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 LMNA 2793/4885AR 1737/4885HTT 528/4885
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 LMNA 2793/4885AR 1737/4885HTT 528/4885
US-11124501-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 LMNA 3165/4885AR 2595/4885HTT 850/4885

“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.