SCHEMBL1666838

SCHEMBL1666838

CC(C)C[C@H](NCl)C(=O)O.OBO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GRN P28799 4/20 0.47
SORT1 Q99523 4/20 0.47
MAPT P10636 1/20 0.47
FOLH1 Q04609 3/20 0.44
LAP3 P28838 3/20 0.42
FPR2 P25090 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1666833 1.00 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AGRN
SCHEMBL3377857 0.94 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AGRN
SCHEMBL3377860 0.94 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AGRN
SCHEMBL468410 0.94 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AGRN
Phosphonic Acid SCHEMBL1992436 0.86 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AGRN
Phosphonic Acid SCHEMBL1992439 0.86 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AGRN
SCHEMBL30211920 0.75 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2AGRN
SCHEMBL31163587 0.74 MME (0.54) ALDH1A1LMNAMEN1KMT2AGRN
SCHEMBL10271737 0.74 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AGRN
SCHEMBL93452 0.73 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AGRN

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 US claimed
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections NOVABAY PHARMACEUTICALS, INC. 2011-06-23 US claimed
EP-2265267-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NovaBay Pharmaceuticals, Inc. (US) 2010-12-29 EP claimed
WO-2010124237-A1 METHODS OF TREATING INFECTIONS OF THE NAIL NOVABAY PHARMACEUTICALS INC. (US) 2010-10-28 WO claimed
US-20100272783-A1 Methods of Treating Infections of the Nail NOVABAY PHARMACEUTICALS, INC. 2010-10-28 US claimed
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. 2010-03-25 US claimed
WO-2009126912-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NOVABAY PHARMACEUTICALS, INC. (US) 2009-10-15 WO claimed
EP-1896001-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-03-12 EP claimed
WO-2006081392-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2006-08-03 WO claimed
EP-2265267-B1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS GOTTARDI WALDEMAR (AT) 2016-09-21 EP disclosed
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 US disclosed
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections NOVABAY PHARMACEUTICALS, INC. 2011-06-23 US disclosed
EP-2312939-A1 ANTIMICROBIAL GEL FORMULATIONS NovaBay Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
EP-2265267-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NovaBay Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2010019723-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
WO-2009126912-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NOVABAY PHARMACEUTICALS, INC. (US) 2009-10-15 WO disclosed
EP-1896001-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them NOVABAY PHARMACEUTICALS, INC. 2006-11-02 US disclosed
WO-2006081392-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2006-08-03 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 (5 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-20100272783-A1 Methods of Treating Infections of the Nail POLR1C, TYR, NACA ALDH1A1 1683/4885LMNA 3446/4885MEN1 1465/4885
US-20140227201-A1 Antimicrobial Gel Formulations CUTA, TUBA3C, POLR1C ALDH1A1 1488/4885LMNA 3899/4885MEN1 2115/4885
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections CFTR, NAT1, ELANE ALDH1A1 1852/4885LMNA 2673/4885MEN1 2856/4885
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS CUTA, TUBA3C, POLR1C ALDH1A1 1488/4885LMNA 3899/4885MEN1 2115/4885
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them DAO, ASNS, DDC ALDH1A1 4276/4885LMNA 3988/4885MEN1 2424/4885

“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.