SCHEMBL3871735

SCHEMBL3871735

CCCN(CCNC(C)=O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.46
MTNR1B P49286 9/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
ACHE P22303 1/20 0.46
CYP2C19 P33261 1/20 0.46
ESRRG P62508 3/20 0.45
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
CNR2 P34972 1/20 0.39

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
SCHEMBL2156595 0.89 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1TSHRLMNA
SCHEMBL2759078 0.85 ESRRG (0.51) MTNR1AMTNR1BALDH1A1TSHRLMNA
SCHEMBL33801 0.80 TDP1 (0.67) ALDH1A1TSHRMAPK1ACHECYP2C19
SCHEMBL5628592 0.79 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1TSHRLMNA
SCHEMBL5623729 0.78 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1TSHRLMNA
SCHEMBL5624837 0.78 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1TSHRLMNA
SCHEMBL19415813 0.75 TDP1 (0.55) ALDH1A1TSHRLMNAMAPK1CYP2C19
SCHEMBL5627355 0.75 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1TSHRLMNA
SCHEMBL7122869 0.75 CYP3A4 (0.59) ALDH1A1TSHRMAPK1CYP2C19ESRRG
SCHEMBL6822008 0.75 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1CYP2C19ESRRG

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-7601179-B2 Methods of preserving artificial coloring on keratin materials L'OREAL S.A. (FR) 2009-10-13 US disclosed
US-20090074702-A1 applying to an artificially-colored haira formulation comprising siloxysilicate resin and hexamethylene undecanamide (nylon 6,11/dimethicone copolymer, forms a film on the hair which fixes the artificial colorant to the hair L'OREAL S.A. (FR) 2009-03-19 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 (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-20090074702-A1 applying to an artificially-colored haira formulation comprising siloxysilicate resin and hexamethylene undecanamide (nylon 6,11/dimethicone copolymer, forms a film on the hair which fixes the artificial colorant to the hair KRT18, CUTA, KDM6A MTNR1A 820/4885MTNR1B 2088/4885ALDH1A1 2651/4885

“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.