SCHEMBL16174698

SCHEMBL16174698

CC(C)[C@H](N)C(=O)Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
HCAR3 P49019 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 3/20 0.37
CES2 O00748 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2221711 0.89 MAPT (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL19124186 0.89 MAPT (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL16115326 0.89 MAPT (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL16393888 0.83 AAK1 (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL16393678 0.83 AAK1 (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL4652737 0.78 MAPT (0.54) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6989260 0.76 ALDH1A1 (0.38) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2700060 0.76 ALDH1A1 (0.48) MAPTALDH1A1KMT2AHCAR3SMN1; SMN2
SCHEMBL20958028 0.76 ALDH1A1 (0.48) MAPTALDH1A1KMT2AHCAR3SMN1; SMN2
SCHEMBL932480 0.75 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383888-B9 NEW PEPTIDES HAVING ANTIMICROBIAL ACTIVITY AND NEW ENZYME CAPABLE OF CONVERTING L-CONFIGURED RESIDUE IN D-CONFIGURED AMINO ACID IN A PEPTIDE INSTITUT NATIONAL DE RECH POUR LAGRICULTURE LALIMENTATION ET LENVIRONNEMENT (FR) 2023-10-04 EP disclosed
EP-3383888-B1 NEW PEPTIDES HAVING ANTIMICROBIAL ACTIVITY AND NEW ENZYME CAPABLE OF CONVERTING L-CONFIGURED RESIDUE IN D-CONFIGURED AMINO ACID IN A PEPTIDE INSTITUT NATIONAL DE RECH POUR LAGRICULTURE LALIMENTATION ET LENVIRONNEMENT (FR) 2023-06-07 EP disclosed
US-10981957-B2 Peptides having antimicrobial activity and new enzyme capable of converting L-configured residue in D-configured amino acid in a peptide INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2021-04-20 US disclosed
US-20180346526-A1 NEW PEPTIDES HAVING ANTIMICROBIAL ACTIVITY AND NEW ENZYME CAPABLE OF CONVERTING L-CONFIGURED RESIDUE IN D-CONFIGURED AMINO ACID IN A PEPTIDE INSTITUTE NATIONAL DE LA RECHERCHE AGRONOMIQUE (INRA) (FR) 2018-12-06 US disclosed
WO-2014170295-A1 COMPOUNDS POTENTIATING THE ACTIVITY OF ANTIFUNGAL DRUGS FUNDACIÓN MEDINA. CENTRO DE EXCELENCIA EN INVESTIGACIÓN DE MEDICAMENTOS INNOVADORES EN ANDALUCÍA (ES) 2014-10-23 WO disclosed
EP-2792683-A1 Compounds potentiating the activity of antifungal drugs Fundacion MEDINA. Centro de Excelencia en Investigacion de Medicamentos Innovadores en Andalucia (ES) 2014-10-22 EP 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-10981957-B2 Peptides having antimicrobial activity and new enzyme capable of converting L-configured residue in D-configured amino acid in a peptide PEPD, DNPEP, ANPEP MAPT 4876/4885GAA 255/4885ALDH1A1 1722/4885
US-20180346526-A1 NEW PEPTIDES HAVING ANTIMICROBIAL ACTIVITY AND NEW ENZYME CAPABLE OF CONVERTING L-CONFIGURED RESIDUE IN D-CONFIGURED AMINO ACID IN A PEPTIDE DNPEP, PEPD, ANPEP MAPT 4877/4885GAA 299/4885ALDH1A1 1916/4885

“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.