SCHEMBL6378489

SCHEMBL6378489

O=c1c(Br)c(Oc2ccccc2)cnn1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.54
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.48
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK14 Q16539 4/20 0.47
PFKFB3 Q16875 1/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4178254 0.84 ALDH1A1 (0.61) NPBWR1ALDH1A1LMNANR2E3HTT
SCHEMBL6232624 0.83 MAPK14 (0.67) NPBWR1ALDH1A1NR2E3HTTHSD17B10
SCHEMBL6291906 0.81 MAPK14 (0.65) NPBWR1ALDH1A1LMNANR2E3HTT
SCHEMBL4047300 0.79 ALDH1A1 (0.54) NPBWR1ALDH1A1LMNANR2E3HTT
SCHEMBL6265589 0.77 MAPK14 (0.62) ALDH1A1LMNANR2E3HTTMAPK14
SCHEMBL6604659 0.77 PFKFB3 (0.52) NPBWR1ALDH1A1LMNANR2E3HTT
SCHEMBL6371703 0.76 MAPK14 (0.59) NPBWR1ALDH1A1NR2E3HTTHSD17B10
SCHEMBL21521858 0.75 NPBWR1 (0.61) NPBWR1ALDH1A1HTTHSD17B10SMN1; SMN2
Benzyl Bromide SCHEMBL7816396 0.74 ALDH1A1 (0.49) NPBWR1ALDH1A1LMNANR2E3HTT
SCHEMBL7813849 0.74 ALDH1A1 (0.49) NPBWR1ALDH1A1LMNANR2E3HTT

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-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 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 (3 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-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 NPBWR1 2719/4885ALDH1A1 1889/4885LMNA 1107/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 NPBWR1 2879/4885ALDH1A1 2217/4885LMNA 1000/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 NPBWR1 2879/4885ALDH1A1 2217/4885LMNA 1000/4885

“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.