SCHEMBL4385002

SCHEMBL4385002

NNC(=O)CC(=O)N(N)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.41
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL28116855 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL4251995 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL29524050 0.72 SMN1; SMN2 (0.37) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL29524055 0.72 CYP2C9 (0.38) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL3953896 0.71 ALOX15 (0.44) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL10441524 0.70 MT-CO2 (0.46) ALDH1A1KDM4ELMNAPOLBGAA
SCHEMBL29063529 0.69 CYP2C9 (0.43) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL1396282 0.69 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBGAA
SCHEMBL10396676 0.69 L3MBTL1 (0.54) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL965837 0.68 LMNA (0.59) ALDH1A1KDM4EMAPTLMNAL3MBTL1

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-8552067-B2 poly(imino-keto-methylene/amine) derivatives as a bioactive part in conjugates; diarrhea caused by pathogens: Vibrio cholerae, Clostridium difficile, Escherichia coli, Shigella, Salmonella, rotavirus; or enterotoxins: cholera toxin, E. coli toxin, Salmonella toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 US disclosed
EP-2117601-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2009-11-18 EP disclosed
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-17 US disclosed
WO-2008079897-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-03 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-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR CFTR, SLC47A1, SLC47A2 ALDH1A1 4121/4885KDM4E 4829/4885MAPT 4789/4885

“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.