SCHEMBL4504752

SCHEMBL4504752

Cc1ccc(NC(=O)CBr)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
HTT P42858 2/20 0.45
CYP2C9 P11712 2/20 0.45
GAA P10253 3/20 0.44
NPC1 O15118 1/20 0.43
PAX8 Q06710 1/20 0.43
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.41
HDAC3 O15379 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
SCHEMBL6780501 0.83 ALDH1A1 (0.52) RAB9AKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL4518641 0.83 DRD4 (0.46) MAPTRAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL6780237 0.81 ALDH1A1 (0.46) SMN1; SMN2RAB9AKMT2AHPGDALDH1A1
SCHEMBL13483657 0.81 MAPT (0.55) SMN1; SMN2MAPTRAB9ATP53KMT2A
SCHEMBL6360691 0.79 KMT2A (0.77) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL7225304 0.78 KMT2A (0.47) SMN1; SMN2MAPTRAB9ATP53KMT2A
SCHEMBL17848460 0.78 POLB (0.65) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL25036878 0.77 MEN1 (0.50) SMN1; SMN2MAPTRAB9AKMT2AMEN1
SCHEMBL30038796 0.77 MEN1 (0.50) SMN1; SMN2MAPTRAB9AKMT2AMEN1
SCHEMBL13195485 0.76 MAPK3 (0.52) SMN1; SMN2MAPTRAB9ATP53

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 SMN1; SMN2 1387/4885MAPT 236/4885RAB9A 3773/4885

“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.