SCHEMBL6710428

SCHEMBL6710428

COc1ccc(NC(=O)c2ccc(-c3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.54
RAF1 P04049 1/20 0.53
HSPB1 P04792 1/20 0.53
LYN P07948 1/20 0.53
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
NR4A1 P22736 1/20 0.51
MCL1 Q07820 1/20 0.51
GAA P10253 1/20 0.49
LCK P06239 1/20 0.48
MAP2K1 Q02750 1/20 0.48
QSOX1 O00391 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 1/20 0.47
MAPK13 O15264 1/20 0.47

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
SCHEMBL5376468 0.86 MAPK14 (0.71) MAPK14RAF1HSPB1LYNLCK
SCHEMBL6710431 0.83 CNR1 (0.54) MAPK14RAF1HSPB1LYNKMT2A
SCHEMBL5376210 0.77 MAPK14 (0.68) MAPK14RAF1HSPB1LYNLCK
SCHEMBL6710424 0.77 SLC2A1 (0.53) MAPK14KMT2AALDH1A1MAPTRAB9A
SCHEMBL4700699 0.74 MAPK14 (0.74) MAPK14RAF1HSPB1LYNLCK
SCHEMBL1140504 0.73 SMO (0.61) KMT2AALDH1A1MAPTRAB9ANR4A1
SCHEMBL1140370 0.73 FASN (0.60) MAPK14RAF1HSPB1LYNKMT2A
SCHEMBL22495297 0.73 RAB9A (0.65) KMT2AALDH1A1MAPTRAB9ANR4A1
SCHEMBL22495329 0.73 RAB9A (0.68) KMT2AALDH1A1MAPTRAB9ANR4A1
SCHEMBL16859815 0.73 MAPK13 (0.82) MAPK14RAF1HSPB1LYNKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249161-A1 For therapy of rheumatoid arthritis, osteoarthritis, asthma, psoriasis, eczema, allergic rhinitis, allergic conjunctivitis, adult respiratory distress syndrome, chronic pulmonary inflammation, chronic obstructive pulmonary disease, chronic heart failure, silicosis, endotoxemia, toxic shock syndrome GLAXO GROUP LIMITED (GB) 2004-12-09 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 (1 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-20040249161-A1 For therapy of rheumatoid arthritis, osteoarthritis, asthma, psoriasis, eczema, allergic rhinitis, allergic conjunctivitis, adult respiratory distress syndrome, chronic pulmonary inflammation, chronic obstructive pulmonary disease, chronic heart failure, silicosis, endotoxemia, toxic shock syndrome MAPK1, HSF1, TLR1 MAPK14 58/4885RAF1 22/4885HSPB1 132/4885

“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.