SCHEMBL22649239

SCHEMBL22649239

NC(=O)NNC(=O)N(N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
AOC3 Q16853 1/20 0.42
ABCC1 P33527 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MTOR P42345 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL22649147 0.84 HDAC3 (0.45) ALDH1A1NPSR1HDAC3HDAC1HDAC2
SCHEMBL27831817 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1HDAC3HDAC1HDAC2
SCHEMBL6036284 0.80 NPC1 (0.50) ALDH1A1NPSR1HDAC3HDAC1HDAC2
SCHEMBL3188486 0.79 AOC3 (0.50) ALDH1A1NPSR1NPC1RAB9AAOC3
SCHEMBL258776 0.78 AOC3 (0.54) ALDH1A1NPSR1NPC1RAB9AAOC3
SCHEMBL22649387 0.78 HDAC3 (0.43) ALDH1A1NPSR1HDAC3HDAC1HDAC2
SCHEMBL6422289 0.77 NPC1 (0.47) ALDH1A1NPSR1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL27460406 0.77 AOC3 (0.48) ALDH1A1NPSR1NPC1RAB9AAOC3
SCHEMBL22649251 0.77 NPC1 (0.47) ALDH1A1NPSR1HDAC3HDAC1HDAC2
SCHEMBL11693547 0.77 NPC1 (0.53) ALDH1A1NPSR1NPC1RAB9AAOC3

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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
WO-2020227588-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP ALDH1A1 4718/4885NPSR1 129/4885HDAC3 4812/4885

“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.