SCHEMBL959050

SCHEMBL959050

O=C(O)N(CC(Cl)(Cl)Cl)c1ccc(F)nc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.35
FOLH1 Q04609 1/20 0.35
MLYCD O95822 1/20 0.33
EPHX2 P34913 1/20 0.32
KDM1A O60341 1/20 0.32
NAPRT Q6XQN6 1/20 0.30
JAK2 O60674 1/20 0.30
RET P07949 1/20 0.30
KDR P35968 1/20 0.30
GSK3A P49840 1/20 0.30
RPS6KA3 P51812 1/20 0.30
LIMK1 P53667 1/20 0.30
MAP2K1 Q02750 1/20 0.30
DYRK1A Q13627 1/20 0.30
MAPK14 Q16539 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
ALK Q9UM73 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL3759729 0.82 MLYCD (0.42) MLYCD
SCHEMBL3443031 0.76 PTK2 (0.49)
SCHEMBL19459555 0.72 PTGIR (0.37) PTGIRFOLH1EPHX2KDM1ANAPRT
SCHEMBL22125280 0.71 SMARCA2 (0.41)
SCHEMBL17644973 0.70 FOLH1 (0.37) PTGIRFOLH1MLYCDEPHX2KDM1A
SCHEMBL3770567 0.69 SMN1; SMN2 (0.44)
SCHEMBL3767369 0.69 ADH5 (0.52)
SCHEMBL20357360 0.69 MEN1 (0.44) PTGIR
SCHEMBL3766395 0.68 CNR2 (0.40)
SCHEMBL2726959 0.68 PDK2 (0.50)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 PTGIR 2149/4885FOLH1 3510/4885MLYCD 4481/4885

“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.