SCHEMBL4259463

SCHEMBL4259463

CC(=O)C1CCC(=O)N(N)C1=O.c1cc2cc-2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
IKBKB O14920 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30

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
SCHEMBL4259466 0.71 FAAH (0.40) KMT2A
SCHEMBL6484485 0.70 HRH3 (0.33) LMNAKMT2A
SCHEMBL7524003 0.67 NPC1 (0.36) LMNAHCRTR1HCRTR2KMT2AP2RX7
Acetamide SCHEMBL1259199 0.64 DHODH (0.48) LMNAIKBKBKMT2A
Acetone SCHEMBL18784619 0.63 KMO (0.52) LMNAKMT2A
SCHEMBL6841467 0.63 MAPT (0.46) LMNAKMT2A
SCHEMBL3626066 0.62
SCHEMBL15727864 0.62
Acetic Acid SCHEMBL734741 0.61 KMO (0.56) LMNAKMT2A
Benzene SCHEMBL28772928 0.61 KMO (0.56) LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130101615-A1 METHODS FOR PREVENTING OR TREATING A DISEASE OR CONDITION ASSOCIATED WITH MYCOBACTERIUM AVIUM SUBSPECIES PARATUBERCULOSIS GREENSTEIN ROBERT J (US) 2013-04-25 US disclosed
US-20090054380-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection GREENSTEIN ROBERT J 2009-02-26 US disclosed
US-20090012048-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection GREENSTEIN ROBERT J 2009-01-08 US disclosed
EP-0906088-B1 LIPOSOMAL ANTINEOPLASTON THERAPIES WITH MARKEDLY IMPROVED ANTINEOPLASTIC ACTIVITY BURZYNSKI STANISLAW R (US) 2005-11-23 EP 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 (3 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-20130101615-A1 METHODS FOR PREVENTING OR TREATING A DISEASE OR CONDITION ASSOCIATED WITH MYCOBACTERIUM AVIUM SUBSPECIES PARATUBERCULOSIS HLA-DRB1, CD14, HLA-C LMNA 3195/4885HCRTR1 3148/4885HCRTR2 3533/4885
US-20090054380-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection MAPT, MAP7, MAPK1 LMNA 3504/4885HCRTR1 4533/4885HCRTR2 4606/4885
US-20090012048-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection MAPT, MAP7, MAPK1 LMNA 3504/4885HCRTR1 4533/4885HCRTR2 4606/4885

“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.