SCHEMBL5630004

SCHEMBL5630004

O=C(Cc1ccc(-c2cccc(C(=O)O)c2)cc1)NCC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
NR1H4 Q96RI1 3/20 0.48
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
KMO O15229 1/20 0.48
PDE4B Q07343 1/20 0.48
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AIMP2 Q13155 1/20 0.47
SRC P12931 1/20 0.46
HDAC3 O15379 1/20 0.44

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
SCHEMBL1512622 0.81 NPC1 (0.58) KMT2AMEN1ROCK2ROCK1NPC1
SCHEMBL14044698 0.78 NPC1 (0.60) KMT2AMEN1ROCK2ROCK1NPC1
SCHEMBL2409477 0.78 NPC1 (0.60) KMT2AMEN1ROCK2ROCK1NPC1
SCHEMBL31331640 0.77 MEN1 (0.71) KMT2AMEN1NR1H4EPHX2POLB
SCHEMBL7169005 0.75 NPC1 (0.46) KMT2AMEN1NPC1NR1H4EPHX2
SCHEMBL29577419 0.72 KMO (0.87) LMNAKMOHDAC8
SCHEMBL14683877 0.72 KMO (0.87) LMNAKMOHDAC8
SCHEMBL8396806 0.72 NPC1 (0.70) KMT2AMEN1ROCK2ROCK1NPC1
SCHEMBL8395513 0.72 NPC1 (0.66) KMT2AMEN1ROCK2ROCK1NPC1
SCHEMBL4300884 0.72 KMT2A (0.72) KMT2AMEN1NPC1RAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208629-B2 5′-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-04-24 US disclosed
US-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 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-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK4, GRK4, NR4A1 KMT2A 711/4885MEN1 3787/4885ROCK2 1896/4885

“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.