SCHEMBL3219488

SCHEMBL3219488

CNC(=O)c1cc(-c2ccc(Br)cc2)on1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
NPC1 O15118 8/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
ALDH1A1 P00352 5/20 0.72
HTT P42858 1/20 0.72
TP53 P04637 3/20 0.68
MAPT P10636 3/20 0.68
POLB P06746 2/20 0.67
PTPN1 P18031 1/20 0.67
STAT1 P42224 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ROCK2 O75116 1/20 0.56
PIM1 P11309 1/20 0.56
GSK3B P49841 1/20 0.56

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
SCHEMBL6802996 0.86 TP53 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL20507222 0.84 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL10153708 0.84 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL22322454 0.83 HPGD (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL19245571 0.82 ROCK2 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL17117168 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL28393948 0.81 TP53 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL3227675 0.80 PTPN1 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL21446983 0.80 ROCK2 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL11887859 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 WO 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-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD RAB9A 4118/4885NPC1 1220/4885SMN1; SMN2 4266/4885

“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.