SCHEMBL14340928

SCHEMBL14340928

O=[N+]([O-])c1ccc(-c2ccc(CBr)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 9/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
EIF4A1 P60842 1/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
XDH P47989 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP2C19 P33261 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL8974165 0.87 NPC1 (0.53) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL27617094 0.85 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL14988473 0.82 MAPT (0.44) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL1772578 0.82 MAPT (0.54) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL14988202 0.80 EIF4A1 (0.62) RAB9ANPC1MAPTALDH1A1EIF4A1
SCHEMBL6488374 0.79 LOXL2 (0.55) MAPTALDH1A1LMNAPOLBLOXL2
SCHEMBL7035833 0.79 NPC1 (0.46) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL22164075 0.79 ELANE (0.48) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL6510195 0.79 MAPT (0.54) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL28596462 0.79 ALDH1A1 (0.57) RAB9ANPC1MAPTALDH1A1GAA

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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 RAB9A 2488/4885NPC1 13/4885MAPT 2674/4885

“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.