SCHEMBL18489056

SCHEMBL18489056

C=C/C=N\c1ccc(C(C)(C)C)cc1C=C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ SCN10A Q9Y5Y9 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL19262983 0.85 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL19102463 0.84 NPC1 (0.35) MAPTSMN1; SMN2
SCHEMBL24627783 0.84 — —
SCHEMBL20852892 0.77 CYP3A4 (0.41) MAPTALDH1A1GAAPKMKDM4E
SCHEMBL24023635 0.73 TYR (0.34) ALDH1A1GAA
SCHEMBL32671491 0.71 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL183161 0.71 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL19102536 0.70 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL11541907 0.69 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL11543698 0.69 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-12 — — US disclosed
US-20190106413-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-04-11 — — US 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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 — — 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

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

For each of this compound's patents that has machine-readable text (6 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 MAPT 1193/4885SMN1; SMN2 3616/4885ALDH1A1 879/4885
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P MAPT 2433/4885SMN1; SMN2 3851/4885ALDH1A1 1637/4885
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity HSF1, HSP90AB1, HSP90AB2P MAPT 2433/4885SMN1; SMN2 3851/4885ALDH1A1 1637/4885
US-10189821-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 MAPT 2665/4885SMN1; SMN2 3744/4885ALDH1A1 541/4885
US-20170037036-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR I HSF1, HSP90AB1, HSPB1 MAPT 2665/4885SMN1; SMN2 3744/4885ALDH1A1 541/4885
US-11124501-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 MAPT 2665/4885SMN1; SMN2 3744/4885ALDH1A1 541/4885

“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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