SCHEMBL5320510

SCHEMBL5320510

CCCn1c(C(=O)OCC)c(O)c2cc(Cl)ccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.47
DPP4 P27487 1/20 0.45
ALOX15 P16050 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOB P27338 1/20 0.44
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL5239340 0.86 ALDH1A1 (0.54) ALDH1A1ALOX15HPGDKDM4ETSHR
SCHEMBL5235047 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2DPP4ALOX15HPGD
SCHEMBL5236865 0.81 ALDH1A1 (0.54) ALDH1A1ALOX15HPGDKDM4ETSHR
SCHEMBL5238633 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDKDM4ETSHR
SCHEMBL5236340 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2AHTT
SCHEMBL8687079 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ALOX15HPGDKDM4E
SCHEMBL5236655 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15HPGDKDM4ETSHR
SCHEMBL5239475 0.74 ALDH1A1 (0.44) ALDH1A1ALOX15HPGDKDM4ETSHR
SCHEMBL4711357 0.74 MAPK8 (0.57) SMN1; SMN2MAPK8
SCHEMBL5230998 0.74 KDM4E (0.41) ALDH1A1SMN1; SMN2HPGDKDM4EHTT

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 387/4885SMN1; SMN2 4002/4885DPP4 2/4885

“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.