SCHEMBL13596171

SCHEMBL13596171

CC(C)(C)C(=O)CN(Cc1ccccc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.45
RIPK1 Q13546 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 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
SCHEMBL13151737 0.86 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1RECQL
SCHEMBL13992410 0.83 KMT2A (0.45) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL2520866 0.82 RECQL (0.47) MEN1KMT2AHTTL3MBTL1RECQL
Bromide SCHEMBL10777741 0.82 RECQL (0.47) MEN1KMT2AHTTL3MBTL1RECQL
SCHEMBL8908481 0.81 RIPK1 (0.50) MEN1KMT2ARECQLRIPK1NPC1
SCHEMBL22009525 0.80 MEN1 (0.45) MEN1KMT2AHTTL3MBTL1RECQL
SCHEMBL16889019 0.80 ALDH1A1 (0.46) MEN1KMT2AHTTL3MBTL1RECQL
SCHEMBL5962473 0.79 TSHR (0.54) MEN1KMT2AHTTL3MBTL1RIPK1
SCHEMBL13992431 0.78 ALOX5 (0.46)
SCHEMBL13539071 0.78 ALDH1A1 (0.48) MEN1KMT2AHTTL3MBTL1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 US disclosed
US-20140256638-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 US disclosed
US-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 US disclosed
WO-2009139922-A2 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2009-11-19 WO disclosed
US-7462592-B2 Compositions and methods for polynucleotide delivery NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-09 US disclosed
US-20080089938-A9 Compositions and methods for polynucleotide delivery ZUCKERMANN RONALD N 2008-04-17 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 (4 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-20140256638-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP MEN1 1890/4885KMT2A 4567/4885HTT 1876/4885
US-20080089938-A9 Compositions and methods for polynucleotide delivery POLN, RNASE1, NCL MEN1 1701/4885KMT2A 3308/4885HTT 149/4885
US-20090318667-A1 Peptoid compositions and methods of using the same PEPD, NGLY1, ANPEP MEN1 2363/4885KMT2A 4664/4885HTT 3658/4885
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP MEN1 1890/4885KMT2A 4567/4885HTT 1876/4885

“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.