SCHEMBL7539554

SCHEMBL7539554

NCCCC(=O)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.66
HDAC6 Q9UBN7 14/20 0.66
HDAC4 P56524 13/20 0.66
HDAC1 Q13547 13/20 0.66
HDAC7 Q8WUI4 13/20 0.66
HDAC11 Q96DB2 13/20 0.66
HDAC8 Q9BY41 13/20 0.66
HDAC9 Q9UKV0 13/20 0.66
HDAC5 Q9UQL6 13/20 0.66
HDAC3 O15379 12/20 0.66
HDAC2 Q92769 12/20 0.66
HDAC10 Q969S8 12/20 0.66
NCOR2 Q9Y618 2/20 0.66
CYP3A4 P08684 2/20 0.66
NCOR1 O75376 2/20 0.66
KDM4E B2RXH2 1/20 0.66
BRD4 O60885 1/20 0.66
NR1I2 O75469 1/20 0.66
EGFR P00533 1/20 0.66
NR0B1 P51843 1/20 0.66

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
SCHEMBL13973103 0.94 HDAC6 (0.69) LTA4HHDAC6HDAC4HDAC1HDAC7
SCHEMBL4837664 0.93 HDAC6 (0.72) LTA4HHDAC6HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL28515049 0.93 HDAC6 (0.67) LTA4HHDAC6HDAC4HDAC1HDAC7
SCHEMBL28608420 0.93 HDAC6 (0.72) LTA4HHDAC6HDAC4HDAC1HDAC7
SCHEMBL31203555 0.93 HDAC6 (0.72) LTA4HHDAC6HDAC4HDAC1HDAC7
SCHEMBL14135053 0.93 HDAC6 (0.72) LTA4HHDAC6HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL8750137 0.91 HDAC6 (0.70) LTA4HHDAC6HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL827279 0.91 HDAC6 (0.70) LTA4HHDAC6HDAC4HDAC1HDAC7
Trifluoroacetic Acid SCHEMBL321237 0.90 HDAC4 (0.66) LTA4HHDAC6HDAC4HDAC1HDAC7
SCHEMBL4400398 0.90 L3MBTL1 (0.71) LTA4HHDAC6HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107814796-B Environment-sensitive dye based on benzofurazan and preparation method and application thereof 湖南大学 2020-10-02 CN disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 US disclosed
EP-0463993-B1 Process for the preparation of aminoanthraquinone derivatives CIBA SC HOLDING AG (CH) 2002-05-02 EP disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed
US-5196553-A From bromaminic acid and a benzenesulfonamide or an amide, copper/I/ catalyst formed by in situ reduction of a copper/II/ salt, less copper required CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
EP-0463993-A1 Process for the preparation of aminoanthraquinone derivatives CIBA-GEIGY AG (CH) 1992-01-02 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-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 LTA4H 1970/4885HDAC6 764/4885HDAC4 1649/4885
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS LTA4H 3370/4885HDAC6 468/4885HDAC4 660/4885

“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.