SCHEMBL5238488

SCHEMBL5238488

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
NLRP1 Q9C000 1/20 0.37
PLK1 P53350 3/20 0.37
CNR2 P34972 3/20 0.36
AVPR1B P47901 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.86 ALDH1A1 (0.33) CNR2ALDH1A1GAAHTTLMNA
SCHEMBL5235017 0.85 THRA (0.34) KDM4EALDH1A1HTTTSHRKMT2A
SCHEMBL5236301 0.84 ALDH1A1 (0.42) HPGDKDM4EALDH1A1GAAHTT
SCHEMBL5234905 0.84 HPGD (0.38) HPGDKDM4EALDH1A1HTTTSHR
SCHEMBL5238484 0.82 HPGD (0.37) HPGDNLRP1PLK1CNR2AVPR1B
SCHEMBL6107675 0.82 HPGD (0.35) HPGDNLRP1PLK1CNR2AVPR1B
SCHEMBL5232392 0.82 THRB (0.36) HPGDKDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL5239739 0.81 HPGD (0.39) HPGDNLRP1PLK1CNR2AVPR1B
SCHEMBL5234473 0.80 THRB (0.37) KDM4EMEN1KMT2A
SCHEMBL5236981 0.80 THRB (0.34) HPGDKDM4EALDH1A1GAASMN1; SMN2

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 HPGD 1241/4885NLRP1 1470/4885PLK1 4462/4885

“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.