SCHEMBL16620958

SCHEMBL16620958

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 1.00
▸ NPC1 O15118 12/20 1.00
▸ MAPT P10636 8/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ LMNA P02545 3/20 1.00
▸ SETD7 Q8WTS6 1/20 0.86
▸ MEN1 O00255 4/20 0.74
▸ KMT2A Q03164 4/20 0.74
▸ BAZ1A Q9NRL2 1/20 0.74
▸ POLB P06746 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ MAOB P27338 4/20 0.66
▸ PKM P14618 2/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ NFKB2 Q00653 1/20 0.66
▸ RELA Q04206 1/20 0.66
▸ MAPK1 P28482 2/20 0.65
▸ ALDH1A1 P00352 3/20 0.63
▸ TP53 P04637 1/20 0.62
▸ TSHR P16473 1/20 0.62

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
SCHEMBL18941185 0.83 MAPT (0.82) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL30927043 0.83 LMNA (0.69) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL27179757 0.83 LMNA (0.69) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL9329754 0.83 MEN1 (0.85) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL10943066 0.81 KMT2A (0.94) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL32690121 0.81 MEN1 (1.00) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL18300094 0.81 MEN1 (1.00) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL18487975 0.81 NPC1 (0.79) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL8710919 0.80 MEN1 (0.80) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL13698359 0.80 MEN1 (0.91) RAB9ANPC1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2024-08-01 — — US disclosed
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 (8 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 RAB9A 3116/4885NPC1 984/4885MAPT 1193/4885
US-10189821-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 RAB9A 3160/4885NPC1 2040/4885MAPT 2665/4885
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 RAB9A 2758/4885NPC1 2292/4885MAPT 2888/4885
US-20170037036-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR I HSF1, HSP90AB1, HSPB1 RAB9A 3160/4885NPC1 2040/4885MAPT 2665/4885
US-20160289216-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 RAB9A 3136/4885NPC1 1850/4885MAPT 2590/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 RAB9A 2758/4885NPC1 2292/4885MAPT 2888/4885
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 RAB9A 2758/4885NPC1 2292/4885MAPT 2888/4885
US-11124501-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 RAB9A 3160/4885NPC1 2040/4885MAPT 2665/4885

“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.

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