SCHEMBL5236293

SCHEMBL5236293

CCCCOc1c(CNC(=O)O)n(CCOC)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
GAA P10253 5/20 0.40
KDM4E B2RXH2 5/20 0.40
GLA P06280 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PLA2G2A P14555 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL5238212 0.88 RXFP1 (0.34) ALDH1A1GAATP53CNR1CNR2
SCHEMBL5235009 0.87 DPP4 (0.38) ALDH1A1THRATHRB
SCHEMBL5234470 0.86 THRA (0.36) ALDH1A1SMN1; SMN2CNR1CNR2HPGD
SCHEMBL5236977 0.86 SMN1; SMN2 (0.34) ALDH1A1GAAKDM4ESMN1; SMN2CNR1
SCHEMBL5238883 0.85 ALDH1A1 (0.47) ALDH1A1GAAKDM4EGLASMN1; SMN2
SCHEMBL5238558 0.85 MAPK8 (0.41) ALDH1A1KDM4ETP53CNR1CNR2
SCHEMBL5238484 0.85 HPGD (0.37) ALDH1A1GAAKDM4ESMN1; SMN2TP53
SCHEMBL5234361 0.84 HSD17B10 (0.36) ALDH1A1KDM4ESMN1; SMN2CNR2HPGD
SCHEMBL6704499 0.84 PTGER4 (0.33) CNR1CNR2PLA2G2A
SCHEMBL5234660 0.84 ALDH1A1 (0.48) ALDH1A1GAAKDM4EGLASMN1; 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 ALDH1A1 387/4885GAA 310/4885KDM4E 897/4885

“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.