SCHEMBL4831459

SCHEMBL4831459

O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPK14 Q16539 1/20 0.44
PKM P14618 1/20 0.43
PLAU P00749 1/20 0.43
CSF1R P07333 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
SCHEMBL7825494 0.89 KMT2A (0.49) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL4831830 0.86 MAPT (0.40) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL2979467 0.85 MAPT (0.50) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL28741190 0.85 RAB9A (0.51) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL2979404 0.83 SMN1; SMN2 (0.56) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL2978967 0.82 MAPT (0.58) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL2980235 0.82 SIRT6 (0.51) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL7822905 0.79 MAPT (0.49) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL2970080 0.78 MAPT (0.65) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL2972292 0.78 SMN1; SMN2 (0.52) KMT2AMAPTALDH1A1RAB9AMEN1

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-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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 (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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B KMT2A 2740/4885MAPT 4431/4885ALDH1A1 269/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B KMT2A 2740/4885MAPT 4431/4885ALDH1A1 269/4885

“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.