SCHEMBL4351797

SCHEMBL4351797

CC(=O)N(N)c1ccc(C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
MCL1 Q07820 1/20 0.37
POLB P06746 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MITF O75030 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL28801517 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL7036611 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL28484796 0.77 CES2 (0.50) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL9674286 0.76 KDM4E (0.48) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL14740800 0.75 LMNA (0.34) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL5736585 0.75 APP (0.41) ALDH1A1NPC1MAPT
SCHEMBL10441674 0.74 HDAC3 (0.40) SMN1; SMN2S1PR1
SCHEMBL7201516 0.74 LMNA (0.48) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL28749398 0.73 HTT (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5663915 0.72 ESR1 (0.41) ALDH1A1NPC1LMNAMAPTRAB9A

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-20130078213-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2013-03-28 US disclosed
EP-1889838-B1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2009-10-14 EP disclosed
EP-1889838-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2008-02-20 EP disclosed
EP-1864981-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
US-20070129338-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION 2007-06-07 US disclosed
US-20040019190-A1 Thrombopoietin mimetics NOVARTIS AG (CH) 2004-01-29 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-20070129338-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885SMN1; SMN2 2310/4885NPC1 4660/4885
US-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885SMN1; SMN2 2310/4885NPC1 4660/4885

“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.