SCHEMBL5237376

SCHEMBL5237376

CCCOc1c(N(C)C(=O)O)n(C)c(=O)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
GABRA1 P14867 5/20 0.39
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
GABRA5 P31644 5/20 0.39
TSPO P30536 1/20 0.39
DPP4 P27487 3/20 0.38
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CLK2 P49760 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP4K2 Q12851 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAP4K5 Q9Y4K4 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
SCHEMBL5236839 0.87 CYP3A4 (0.44) TSPODPP4TACR1
SCHEMBL5240951 0.84 DPP4 (0.43) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL5231873 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5TSPO
SCHEMBL5234473 0.82 THRB (0.37) GABRA1GABRG2GABRB3GABRA5
SCHEMBL5238007 0.81 DHODH (0.44) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL5236019 0.80 MEN1 (0.40) TSPODPP4TACR1ALDH1A1
SCHEMBL6109066 0.78 DPP4 (0.40) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL5237699 0.78 DPP4 (0.44) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL5237372 0.77 DPP4 (0.42) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL5239475 0.76 ALDH1A1 (0.44) GABRA1GABRG2GABRB3GABRA5ALDH1A1

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 DHODH 2355/4885GABRA1 3124/4885GABRG2 3321/4885

“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.