SCHEMBL4518641

SCHEMBL4518641

O=C(CBr)Nc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
IDH2 P48735 1/20 0.42
THRB P10828 1/20 0.42
AR P10275 1/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL6780501 0.84 ALDH1A1 (0.52) GAAPOLBRAB9ACYP1A2CYP2D6
SCHEMBL4504752 0.83 SMN1; SMN2 (0.50) GAARAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL30938481 0.80 RAB9A (0.59) L3MBTL1GAAPOLBRAB9ACYP2C19
SCHEMBL6036198 0.80 RAB9A (0.59) L3MBTL1GAAPOLBRAB9ACYP2C19
SCHEMBL6780237 0.80 ALDH1A1 (0.46) L3MBTL1GAAARPOLBRAB9A
SCHEMBL2755850 0.79 KIF11 (0.51) DRD4IDH2RAB9ACYP1A2CYP2D6
SCHEMBL17848460 0.79 POLB (0.65) L3MBTL1GAAPOLBCYP1A2CYP2C19
SCHEMBL20560635 0.79 RAB9A (0.49) DRD4GAAIDH2ARRAB9A
SCHEMBL30603334 0.79 SMN1; SMN2 (0.46) L3MBTL1GAAIDH2ARPOLB
SCHEMBL1285934 0.79 SMN1; SMN2 (0.46) L3MBTL1GAAIDH2ARPOLB

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-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT DRD4 1544/4885L3MBTL1 387/4885GAA 318/4885

“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.