SCHEMBL5164748

SCHEMBL5164748

O=C(Nc1[c]cccc1NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
MDM4 O15151 1/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
PKM P14618 2/20 0.49

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
SCHEMBL27814922 0.81 RAB9A (0.55) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL11293984 0.81 HDAC2 (0.57) HDAC3HDAC1HDAC2MAPK1POLB
SCHEMBL27628230 0.80 HSP90AA1 (0.48) HDAC1HDAC2NPC1RAB9AKMT2A
SCHEMBL1110180 0.79 MDM4 (0.73) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL27966309 0.78 HDAC1 (0.53) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL6804876 0.76 MDM4 (0.50) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL6067716 0.74 HDAC1 (0.66) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL10953014 0.74 HDAC3 (0.71) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL19509669 0.74 HDAC3 (0.66) HDAC3HDAC1HDAC2MDM4TP53
SCHEMBL5250996 0.73 ALDH1A1 (0.50) MAPK1POLBHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators ASTEX THERAPEUTICS, LTD. (UK) 2007-09-06 US disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 US disclosed
EP-1756082-A1 5-MORPHOLINYLMETHYLTHIOPHENYL PHARMACEUTIAL COMPOUNDS AS P38 MAP KINASE MODULATORS Astex Therapeutics Limited (GB) 2007-02-28 EP disclosed
EP-1615907-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astex Therapeutics Limited (GB) 2006-01-18 EP disclosed
WO-2005100338-A1 5-MORPHOLINYLMETHYLTHIOPHENYL PHARMACEUTIAL COMPOUNDS AS P38 MAP KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-10-27 WO disclosed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2004089929-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2004-10-21 WO disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT HDAC3 3317/4885HDAC1 877/4885HDAC2 1199/4885
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases CNKSR1, NOX5, NOX1 HDAC3 1018/4885HDAC1 983/4885HDAC2 1097/4885
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators MAPK1, MAPK3, MAPK10 HDAC3 119/4885HDAC1 104/4885HDAC2 270/4885

“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.