SCHEMBL6370927

SCHEMBL6370927

O=C(O)C(Nc1cnn(Cc2ccccc2)c(=O)c1Br)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPK14 Q16539 2/20 0.40
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
NCOA1 Q15788 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
NPBWR1 P48145 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RX7 Q99572 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
SCHEMBL6232549 0.77 BPTF (0.49) PFKFB3ALDH1A1MAPK14HTTKDM4E
SCHEMBL6369775 0.77 MAPK14 (0.59) ALDH1A1MAPK14HTTKDM4ESMN1; SMN2
SCHEMBL6604659 0.73 PFKFB3 (0.52) PFKFB3ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL4047300 0.72 ALDH1A1 (0.54) PFKFB3ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL6370792 0.71 PFKFB3 (0.41) PFKFB3ALDH1A1MAPK14HTTKDM4E
SCHEMBL6237378 0.71 SMN1; SMN2 (0.69) PFKFB3ALDH1A1MAPK14HTTKDM4E
Benzyl Bromide SCHEMBL7816396 0.68 ALDH1A1 (0.49) PFKFB3ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL4178254 0.67 ALDH1A1 (0.61) PFKFB3ALDH1A1MAPK14HTTKDM4E
SCHEMBL6271937 0.67 ALDH1A1 (0.50) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL7582089 0.66 FPR2 (0.46) ALDH1A1HTTLMNARAB9AMAPK1

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 PFKFB3 1494/4885ALDH1A1 1889/4885MAPK14 29/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 PFKFB3 1287/4885ALDH1A1 2217/4885MAPK14 34/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 PFKFB3 1287/4885ALDH1A1 2217/4885MAPK14 34/4885

“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.