SCHEMBL16678806

SCHEMBL16678806

COC(=O)c1cc(CCc2ccc(OC)cc2C)sc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CISD2 Q8N5K1 3/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TP53 P04637 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
SCHEMBL23827458 0.89 HTT (0.48) GAAHTTMAPTMAPK1KMT2A
SCHEMBL16690785 0.86 MTNR1A (0.48) GAAHTTMAPTKMT2AMEN1
SCHEMBL16689458 0.85 GAA (0.43) GAAHTTMAPTMAPK1KMT2A
SCHEMBL16690704 0.83 GAA (0.54) GAAHTTMAPTMAPK1KMT2A
SCHEMBL16690708 0.78 GAA (0.56) GAAHTTMAPTMAPK1KMT2A
SCHEMBL16689451 0.78 LMNA (0.54) GAAHTTMAPTMAPK1KMT2A
SCHEMBL16689452 0.76 GAA (0.49) GAAHTTMAPTMAPK1KMT2A
SCHEMBL1970021 0.75 HSD17B10 (0.58) GAAHTTMAPTMAPK1KMT2A
SCHEMBL16690701 0.75 GAA (0.61) GAAHTTMAPTMAPK1KMT2A
SCHEMBL23827439 0.75 HSD17B10 (0.50) GAAHTTMAPTHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 — — EP disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 — — US disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 — — US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 — — US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 — — 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 (1 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-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 GAA 1316/4885HTT 2865/4885MAPT 4801/4885

“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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