SCHEMBL29790537

SCHEMBL29790537

CN1CCC(Oc2ccc3cc(Br)ccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ MET P08581 1/20 0.38
▸ SRC P12931 1/20 0.38

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
SCHEMBL16621259 1.00 KCNH2 (0.45) KCNH2L3MBTL1BACE1MEN1POLB
SCHEMBL16621394 0.93 KCNH2 (0.42) KCNH2L3MBTL1BACE1CHRM2CHRM4
SCHEMBL16621393 0.93 KCNH2 (0.42) KCNH2L3MBTL1BACE1CHRM2CHRM4
SCHEMBL17962757 0.87 BACE1 (0.47) KCNH2BACE1SRC
SCHEMBL27141948 0.83 BACE1 (0.41) KCNH2L3MBTL1BACE1SRCHRH3
SCHEMBL31413410 0.83 BACE1 (0.41) KCNH2L3MBTL1BACE1SRCHRH3
SCHEMBL30349356 0.82 MET (0.48) L3MBTL1MEN1POLBHTTKMT2A
SCHEMBL2621757 0.82 MET (0.48) L3MBTL1MEN1POLBHTTKMT2A
SCHEMBL1161750 0.81 KCNH2 (0.40) KCNH2BACE1SRC
SCHEMBL1161752 0.81 KCNH2 (0.40) KCNH2BACE1SRC

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KCNH2 3837/4885L3MBTL1 1986/4885BACE1 2289/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 KCNH2 3837/4885L3MBTL1 1986/4885BACE1 2289/4885
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 KCNH2 3837/4885L3MBTL1 1986/4885BACE1 2289/4885

“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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