SCHEMBL16689451

SCHEMBL16689451

COC(=O)c1cc(CCc2ccccc2OC)sc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ NR3C2 P08235 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL16689449 0.89 GAA (0.59) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL23827479 0.89 HSD17B10 (0.55) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL16690785 0.85 MTNR1A (0.48) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL16689459 0.83 ALOX15 (0.42) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL16689461 0.82 GAA (0.58) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL16678783 0.81 HSD17B10 (0.52) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL16678806 0.78 GAA (0.47) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL16689464 0.78 ALDH1A1 (0.50) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL16690704 0.77 GAA (0.54) ALOX15HSD17B10ALDH1A1KMT2AHPGD
SCHEMBL1970021 0.77 HSD17B10 (0.58) LMNAALOX15HSD17B10ALDH1A1KMT2A

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 LMNA 2017/4885ALOX15 1496/4885HSD17B10 2750/4885

“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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