SCHEMBL19689736

SCHEMBL19689736

NC(CO)c1ccccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.43
AKR1C3 P42330 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.40
NSD2 O96028 1/20 0.40
DPP4 P27487 1/20 0.40
TSHR P16473 1/20 0.40
KCNQ2 O43526 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7888872 0.84 KEAP1 (0.49) L3MBTL1MAPTNPC1ALDH1A1KCNQ2
SCHEMBL5793874 0.82 MC4R (0.51) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL19689735 0.79 DPP4 (0.48) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL5337121 0.79 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL515194 0.77 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL28558569 0.77 AKR1C3 (0.47) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL19665149 0.76 LMNA (0.46) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL28106860 0.76 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL17844326 0.76 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL1460357 0.76 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354833-A1 TWO-COMPONENT PRODUCTS IN BAGS FOR THE OXIDATIVE DYEING OF KERATIN FIBRES HENKEL AG & CO. KGAA (DE) 2017-12-14 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-20170354833-A1 TWO-COMPONENT PRODUCTS IN BAGS FOR THE OXIDATIVE DYEING OF KERATIN FIBRES KRT18, AKR7A2, HSPA1B L3MBTL1 4248/4885MEN1 4200/4885KMT2A 899/4885

“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.