SCHEMBL4548417

SCHEMBL4548417

O=[N+]([O-])c1ccc(-n2cc(CBr)cn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ATM Q13315 1/20 0.43
SLC2A1 P11166 1/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRBN Q96SW2 3/20 0.38
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11901316 0.78 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4548418 0.78 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4548414 0.77 CYP2C19 (0.43) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4548416 0.76 CYP2C19 (0.42) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL10312536 0.76 HCAR2 (0.45) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4548415 0.75 HCAR2 (0.42) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL11901467 0.74 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL9113748 0.71 MAPT (0.53) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL30522724 0.71 LMNA (0.54) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4185751 0.71 LMNA (0.54) MAPTALDH1A1LMNAALOX12NPSR1

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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 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 (2 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 MAPT 2721/4885ALDH1A1 1145/4885LMNA 851/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 MAPT 2701/4885ALDH1A1 1106/4885LMNA 909/4885

“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.