SCHEMBL7919338

SCHEMBL7919338

COC(=O)N/N=C/c1ccc(-c2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MIF P14174 1/20 0.57
MAPT P10636 6/20 0.48
GAA P10253 4/20 0.48
PKM P14618 3/20 0.48
POLB P06746 2/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 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
SCHEMBL7052865 0.88 MIF (0.61) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL7052868 0.88 MIF (0.61) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL13916291 0.88 MIF (0.61) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL3550155 0.85 HDAC3 (0.65) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL3550150 0.85 HDAC3 (0.65) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL27076797 0.85 HDAC3 (0.65) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL13315148 0.84 HDAC3 (0.55) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL2286150 0.83 HDAC3 (0.50) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL7992480 0.83 HDAC3 (0.50) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL12377136 0.83 HDAC3 (0.50) LMNAHDAC3HDAC1HDAC2NPC1

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-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
WO-2010077317-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. (US) 2010-07-08 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-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP LMNA 990/4885HDAC3 2353/4885HDAC1 837/4885

“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.