SCHEMBL5648458

SCHEMBL5648458

CCCC(=O)Nc1cccc(-c2ccc(C)cc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 1/20 0.51
SOAT1 P35610 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
ADORA1 P30542 1/20 0.50
PARP14 Q460N5 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 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
SCHEMBL28824437 0.79 HDAC3 (0.69) SMN1; SMN2MAPTTP53MAPK1ALDH1A1
SCHEMBL26646514 0.77 SOAT1 (0.78) SMN1; SMN2MAPTMAPK1SOAT1PARP14
SCHEMBL5647187 0.75 CNR2 (0.40) SMN1; SMN2MAPTMAPK1SOAT1ALDH1A1
SCHEMBL12284937 0.74 ALDH1A1 (0.69) MAPTTP53MAPK1PARP14ALDH1A1
SCHEMBL26013069 0.74 POLB (0.64) MAPTTP53ADORA3ADORA1ALDH1A1
SCHEMBL7769484 0.74 MAPK1 (0.62) SMN1; SMN2MAPTTP53MAPK1ALDH1A1
SCHEMBL17405142 0.73 TP53 (0.86) SMN1; SMN2MAPTTP53ADORA3ADORA1
SCHEMBL9510413 0.73 TERT (0.73) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2245360 0.72 KDM4E (0.56) SMN1; SMN2MAPTTP53ADORA3ADORA1
SCHEMBL31370326 0.72 LTA4H (0.53) SMN1; SMN2SOAT1ALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20060074111-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
EP-1513795-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000762-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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 (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-20060074111-A1 Chemical compounds HDAC3, HAT1, H1-3 SMN1; SMN2 2260/4885MAPT 3846/4885TP53 2939/4885

“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.