SCHEMBL2189749

SCHEMBL2189749

[CH2]C(C)(C)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.51
CTSS P25774 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
SYK P43405 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4442846 0.86 KMT2A (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20382395 0.85 KMT2A (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL2187660 0.84 MEN1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL2268248 0.84 MEN1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL1150695 0.84 CTSS (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL3983725 0.83 KMT2A (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL10349980 0.83 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4508484 0.83 MEN1 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL6380611 0.83 MEN1 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16544833 0.83 KMT2A (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
EP-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
CN-1310882-C Sulfonamide derivatives, insecticides for agricultural and horticultural use, and usage thereof NIHON NOHYAKU CO LTD (JP) 2007-04-18 CN disclosed
CN-1692098-A Sulfonamide derivatives, insecticides for agricultural and horticultural use, and usage thereof NIHON NOHYAKU CO LTD (JP) 2005-11-02 CN 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 (2 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO KMT2A 4214/4885MEN1 3013/4885SMN1; SMN2 4552/4885
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO KMT2A 1714/4885MEN1 2339/4885SMN1; SMN2 4442/4885

“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.