SCHEMBL16689464

SCHEMBL16689464

COC(=O)c1cc(CCc2ccccn2)sc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ TSHR P16473 2/20 0.45
▸ ADORA2A P29274 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL23827474 0.84 KMT2A (0.47) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL16689461 0.82 GAA (0.58) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL16689460 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL16689451 0.78 LMNA (0.54) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL1970021 0.77 HSD17B10 (0.58) ALDH1A1KMT2AMEN1GAAHPGD
Hydrochloric Acid SCHEMBL10734146 0.76 HSD17B10 (0.57) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL24993022 0.76 GAA (0.51) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL16689452 0.75 GAA (0.49) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL16689450 0.75 GAA (0.47) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL1564819 0.75 MAPT (0.59) ALDH1A1KMT2AMEN1GAAHPGD

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 ALDH1A1 266/4885KMT2A 2327/4885MEN1 1180/4885

“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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