SCHEMBL3748990

SCHEMBL3748990

CCCCCCCCCC(=O)CC(=O)N1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TSHR P16473 2/20 0.61
NOTUM Q6P988 5/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
POLB P06746 2/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.50

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
SCHEMBL13041447 0.84 TSHR (0.67) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL12883043 0.84 MAPT (0.82) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL31222353 0.81 TSHR (0.81) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL16220559 0.81 TSHR (0.81) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL23409642 0.78 TSHR (0.71) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL5006023 0.77 TSHR (0.75) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL308295 0.76 NOTUM (0.74) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL21225692 0.76 MAPT (0.78) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL10202736 0.76 TSHR (0.63) MAPTMEN1KMT2ATSHRNOTUM
SCHEMBL30274509 0.76 MAPT (0.78) MAPTMEN1KMT2ATSHRNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
US-20040235914-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-11-25 US disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 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 (8 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MAPT 4732/4885MEN1 2782/4885KMT2A 4236/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MAPT 4732/4885MEN1 2782/4885KMT2A 4236/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 MAPT 4738/4885MEN1 2504/4885KMT2A 2108/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH MAPT 4875/4885MEN1 2757/4885KMT2A 2689/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MAPT 4732/4885MEN1 2782/4885KMT2A 4236/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 MAPT 4738/4885MEN1 2504/4885KMT2A 2108/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS MAPT 4732/4885MEN1 2782/4885KMT2A 4236/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 MAPT 4738/4885MEN1 2504/4885KMT2A 2108/4885

“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.