SCHEMBL5313704

SCHEMBL5313704

O=C(CBr)Nc1nc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
POLB P06746 1/20 0.69
ALDH1A1 P00352 4/20 0.68
ACP1 P24666 1/20 0.68
NCS1 P62166 1/20 0.66
DYRK1A Q13627 2/20 0.65
ADORA1 P30542 1/20 0.65
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
MAPK1 P28482 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
CHEK1 O14757 1/20 0.63
AURKA O14965 1/20 0.63

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
SCHEMBL4862601 0.88 POLB (0.74) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29485044 0.84 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6206186 0.84 RAB9A (0.72) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL25938107 0.84 CSNK1D (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29485043 0.84 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
Ethylene SCHEMBL8167289 0.84 CSNK1D (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29282910 0.84 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7933388 0.84 HDAC3 (0.71) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4858014 0.84 CSNK1D (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL25333657 0.83 CSNK1D (0.68) CSNK1DSMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087363-A N-heterocyclic substituted-2-bromoacetamide compound for crop bacteriostasis and preparation method thereof 湖南科技大学 2020-05-01 CN claimed
CN-111087363-B N-heterocyclic substituted-2-bromoacetamide compound for crop bacteriostasis and preparation method thereof 湖南科技大学 2022-04-12 CN disclosed
CN-111087363-A N-heterocyclic substituted-2-bromoacetamide compound for crop bacteriostasis and preparation method thereof 湖南科技大学 2020-05-01 CN disclosed
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US disclosed
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-5922872-A BACTERICIDES AND DRUGS ISIS PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998006671-A1 METHODS FOR REMOVING UNREACTED ELECTROPHILES FROM A REACTION MIXTURE ISIS PHARMACEUTICALS, INC. (US) 1998-02-19 WO disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
US-5632898-A SCAVINGING WITH A WATER-SOLUBLE NUCLEOPHILE COMPRISING AMINO-, HYDROXY- OR MERCAPTO-CONTAINING SULFONATES, CARBOXYLATES OR PHOSPHONATES FOLLOWED BY SEPARATION ISIS PHARMACEUTICALS, INC. (US) 1997-05-27 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-20070088043-A1 Novel HDAC inhibitors HDAC1, HDAC11, HDAC5 CSNK1D 85/4885SMN1; SMN2 3872/4885NFKB1 355/4885

“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.