SCHEMBL2459503

SCHEMBL2459503

CC(C)(C)C(NC(=O)O)c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
HPGDS O60760 1/20 0.42
ALDH1A1 P00352 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PBRM1 Q86U86 1/20 0.38
DDX3X O00571 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 2/20 0.37
LMNA P02545 3/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL67172 0.81 ALDH1A1 (0.48) ALDH1A1LMNANPC1POLBSMN1; SMN2
SCHEMBL2384740 0.80 CNR2 (0.41) ALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL5265186 0.79 MEN1 (0.43) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL186787 0.79 HPGDS (0.43) HPGDS
SCHEMBL3859307 0.79 CPN1 (0.49) CPN1CPB2HPGDSALDH1A1MAPKAPK2
SCHEMBL14065100 0.79 CPN1 (0.49) CPN1CPB2HPGDSALDH1A1MAPKAPK2
SCHEMBL22836727 0.79 CPN1 (0.49) CPN1CPB2HPGDSALDH1A1MAPKAPK2
SCHEMBL18498972 0.78 HDAC8 (0.51) ALDH1A1KDM4E
SCHEMBL2458448 0.77 HTT (0.53) ALDH1A1CYP3A4CYP2D6LMNASMN1; SMN2
SCHEMBL2458450 0.77 HTT (0.53) ALDH1A1CYP3A4CYP2D6LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 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 (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-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 CPN1 4646/4885CPB2 4584/4885HPGDS 4471/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A CPN1 2313/4885CPB2 1335/4885HPGDS 498/4885

“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.