SCHEMBL5236301

SCHEMBL5236301

CCCCOc1c(N(C)C(=O)O)n(CCOC)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
GAA P10253 4/20 0.37
GLA P06280 3/20 0.37
KDM4E B2RXH2 3/20 0.37
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PLA2G2A P14555 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
PKM P14618 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 2/20 0.33
USP2 O75604 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5238218 0.88 ALDH1A1 (0.33) ALDH1A1GAATHRATHRBPLA2G2A
SCHEMBL5235017 0.86 THRA (0.34) ALDH1A1KDM4ETHRATHRBSMN1; SMN2
SCHEMBL5234473 0.86 THRB (0.37) KDM4ETHRATHRBPLA2G2AKMT2A
SCHEMBL5236981 0.85 THRB (0.34) ALDH1A1GAAKDM4ETHRATHRB
SCHEMBL5238562 0.84 MAPK8 (0.39) ALDH1A1KDM4EPLA2G2AKMT2AMEN1
SCHEMBL5234366 0.84 ALDH1A1 (0.33) ALDH1A1KDM4ETHRATHRBSMN1; SMN2
SCHEMBL5234905 0.84 HPGD (0.38) ALDH1A1KDM4ETHRBSMN1; SMN2HPGD
SCHEMBL5238488 0.84 HPGD (0.37) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL5232392 0.83 THRB (0.36) ALDH1A1GAAKDM4ETHRATHRB
SCHEMBL5233361 0.83 ALDH1A1 (0.46) ALDH1A1GAAGLAKDM4ETHRA

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 2 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-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 387/4885GAA 310/4885GLA 436/4885

“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.