SCHEMBL3493569

SCHEMBL3493569

NNC(=O)c1ccc2occ(-c3cccc(OC(F)(F)F)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
KAT6A Q92794 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPK14 Q16539 1/20 0.40
GSK3B P49841 2/20 0.39
DHODH Q02127 1/20 0.39
MAOB P27338 1/20 0.39
ABL1 P00519 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL3491316 0.88 HDAC6 (0.47) NPC1POLBHDAC6HDAC1GSK3B
SCHEMBL3493911 0.87 GSK3B (0.49) FFAR1FFAR4NPC1POLBHDAC6
SCHEMBL3492654 0.85 POLB (0.42) FFAR1FFAR4NPC1POLBHDAC6
SCHEMBL3492973 0.81 NPC1 (0.41) FFAR1FFAR4NPC1POLBHDAC6
SCHEMBL679553 0.76 KAT6A (0.58) HDAC1KAT6AMAPK14KMT2A
SCHEMBL31180472 0.76 KAT6A (0.58) HDAC1KAT6AMAPK14KMT2A
SCHEMBL3490849 0.75 CA1 (0.55) NPC1POLBHDAC6GSK3BMAOB
Hydrochloric Acid SCHEMBL30978290 0.75 KAT6A (0.56) HDAC1KAT6AMAPK14KMT2A
SCHEMBL3493518 0.74 GSK3B (0.57) NPC1POLBHDAC6HDAC1GSK3B
SCHEMBL3492798 0.72 GSK3B (0.47) FFAR1FFAR4NPC1POLBGSK3B

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
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP FFAR1 4385/4885FFAR4 4474/4885NPC1 1571/4885

“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.