SCHEMBL6370511

SCHEMBL6370511

O=c1c(Br)c(Br)cnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
ALDH1A1 P00352 7/20 0.58
MAPT P10636 7/20 0.58
RAB9A P51151 7/20 0.58
HTT P42858 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
NPSR1 Q6W5P4 5/20 0.58
LMNA P02545 4/20 0.58
PAX8 Q06710 3/20 0.58
RXFP1 Q9HBX9 2/20 0.58
MAPK14 Q16539 12/20 0.58
XBP1 P17861 5/20 0.51
S1PR4 O95977 4/20 0.45
S1PR1 P21453 4/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 1/20 0.45
TLR9 Q9NR96 1/20 0.45
GAA P10253 1/20 0.43
MITF O75030 2/20 0.39
THRB P10828 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
SCHEMBL6378562 0.84 MAPK14 (0.55) NPC1ALDH1A1MAPTRAB9AHTT
SCHEMBL4191587 0.78 NPC1 (0.69) NPC1ALDH1A1MAPTRAB9AHTT
SCHEMBL11732101 0.77 RAB9A (0.64) NPC1ALDH1A1MAPTRAB9AHTT
SCHEMBL6376389 0.77 MAPK14 (0.68) NPC1ALDH1A1MAPTRAB9AHTT
SCHEMBL6237072 0.77 MAPK14 (0.48) NPC1ALDH1A1MAPTRAB9AHTT
SCHEMBL4675793 0.75 RAB9A (0.71) NPC1ALDH1A1MAPTRAB9AHTT
SCHEMBL4196334 0.74 SMN1; SMN2 (0.60) NPC1ALDH1A1MAPTRAB9AHTT
SCHEMBL6288420 0.74 MAPK14 (1.00) ALDH1A1LMNAMAPK14
SCHEMBL6348612 0.74 MAPK14 (1.00) RAB9ASMN1; SMN2MAPK14
SCHEMBL6370976 0.74 MAPK14 (0.78) ALDH1A1MAPTRAB9ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US claimed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US claimed
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US disclosed
EP-1470112-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 Pharmacia Corporation (US) 2004-10-27 EP disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2003059891-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2003-07-24 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 (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 NPC1 2288/4885ALDH1A1 1889/4885MAPT 1704/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 NPC1 2380/4885ALDH1A1 2217/4885MAPT 1544/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 NPC1 2380/4885ALDH1A1 2217/4885MAPT 1544/4885

“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.