SCHEMBL1645114

SCHEMBL1645114

O=C(O)c1ccc2nc(N3CCOCC3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.58
PKM P14618 1/20 0.53
HRH3 Q9Y5N1 2/20 0.51
MCHR1 Q99705 2/20 0.50
KMO O15229 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.46
PDE10A Q9Y233 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
GAA P10253 2/20 0.45
GBA1 P04062 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL1645755 0.88 TP53 (0.54) PIK3CAPKMHRH3MCHR1ALDH1A1
SCHEMBL1644052 0.87 HRH3 (0.54) HRH3MCHR1ALDH1A1KDM4ELMNA
SCHEMBL1644303 0.86 HRH3 (0.53) HRH3MCHR1ALDH1A1KDM4ELMNA
SCHEMBL27144759 0.84 MCHR1 (0.52) PIK3CAHRH3MCHR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL18109905 0.82 HTR3A (0.60) PKMHRH3ALDH1A1KDM4ELMNA
SCHEMBL1688386 0.81 PIK3CA (0.64) PIK3CAMCHR1ALDH1A1KDM4EHTT
SCHEMBL4307874 0.81 HRH3 (0.52) HRH3ALDH1A1KDM4ELMNAHDAC3
SCHEMBL1285530 0.81 HRH3 (0.52) HRH3ALDH1A1KDM4ELMNAPDE10A
SCHEMBL1285141 0.79 HRH3 (0.53) HRH3MCHR1KDM4EPDE10AMEN1
SCHEMBL21997986 0.78 PKM (0.53) PIK3CAPKMMCHR1KMOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
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
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
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 PIK3CA 1626/4885PKM 3895/4885HRH3 1087/4885
US-20160289216-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 PIK3CA 2027/4885PKM 3315/4885HRH3 2119/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 PIK3CA 1626/4885PKM 3895/4885HRH3 1087/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PIK3CA 1258/4885PKM 2293/4885HRH3 556/4885
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 PIK3CA 1626/4885PKM 3895/4885HRH3 1087/4885

“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.