SCHEMBL7724917

SCHEMBL7724917

CCN(CC)CC(=O)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FAAH O00519 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
MC4R P32245 1/20 0.42
SCN4A P35499 1/20 0.42
MC3R P41968 1/20 0.42
HTR3A P46098 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN3A Q9NY46 1/20 0.42
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL29953519 0.85 ALDH1A1 (0.44) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL29951451 0.82 ALDH1A1 (0.42) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL4940723 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1FAAHMAPTLMNA
SCHEMBL4940730 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1FAAHMAPTLMNA
SCHEMBL22035847 0.80 MEN1 (0.44) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL27721760 0.78 ALDH1A1 (0.40) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL7137889 0.78 MEN1 (0.52) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL4937544 0.78 ALDH1A1 (0.44) ALDH1A1PPARGNPSR1
SCHEMBL4937559 0.78 ALDH1A1 (0.44) ALDH1A1PPARGNPSR1
SCHEMBL26763531 0.77 ALDH1A1 (0.41) ALDH1A1HTTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
WO-2018099952-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS ONCOTYROL CENTER FOR PERSONALIZED CANCER MEDICINE GMBH (AT) 2018-06-07 WO disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 WO disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (5 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-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885HTT 4664/4885MAPK1 549/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2071/4885HTT 3986/4885MAPK1 1068/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2648/4885HTT 4664/4885MAPK1 549/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2465/4885HTT 4630/4885MAPK1 1037/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2465/4885HTT 4630/4885MAPK1 1037/4885

“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.