SCHEMBL5233201

SCHEMBL5233201

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 2/20 0.46
ACHE P22303 1/20 0.45
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
PTK2B Q14289 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5237718 0.88 TSHR (0.42) ALDH1A1KMT2AHSD17B10HPGDTSHR
SCHEMBL5239516 0.88 CACNA1G (0.37) ALDH1A1KMT2AHSD17B10HPGDGAA
Hydrochloric Acid SCHEMBL5237736 0.83 HPGD (0.39) ALDH1A1KMT2AHSD17B10HPGDTSHR
SCHEMBL5237977 0.83 TSHR (0.41) ALDH1A1KMT2ATSHRSMN1; SMN2PTK2B
SCHEMBL5276978 0.82 TSHR (0.40) ALDH1A1HPGDTSHRMAPTSMN1; SMN2
SCHEMBL5237304 0.81 TSHR (0.43) ALDH1A1KMT2AHPGDTSHRPTK2B
SCHEMBL5234899 0.80 NPSR1 (0.45) KMT2AHSD17B10TSHRSMN1; SMN2PTK2B
SCHEMBL5266554 0.80 TSHR (0.40) KMT2AHPGDTSHRMAPTSMN1; SMN2
SCHEMBL5232665 0.80 TSHR (0.38) ACHETSHRSMN1; SMN2PTK2BNPSR1
SCHEMBL5239302 0.80 TSHR (0.39) ALDH1A1KMT2AHSD17B10HPGDGAA

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 ALDH1A1 387/4885KMT2A 452/4885HSD17B10 640/4885

“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.