SCHEMBL1768978

SCHEMBL1768978

O=C(Nc1ccccc1Br)[C@H]1CCCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
TACR1 P25103 1/20 0.49
CCR3 P51677 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA5 P08648 1/20 0.48
ITGA4 P13612 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CFD P00746 1/20 0.46

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
SCHEMBL27797221 0.84 KMT2A (0.51) KMT2ATSHRL3MBTL1MEN1ITGB3
SCHEMBL18555774 0.83 CFD (0.53) KMT2ATSHRL3MBTL1MEN1CCR3
SCHEMBL18555771 0.83 CFD (0.53) KMT2ATSHRL3MBTL1MEN1CCR3
SCHEMBL12649100 0.82 KMT2A (0.68) KMT2ATSHRL3MBTL1MEN1SMN1; SMN2
SCHEMBL4799596 0.81 ALDH1A1 (0.64) SMN1; SMN2POLBNPC1ALDH1A1CYP2C9
SCHEMBL4799610 0.81 ALDH1A1 (0.64) SMN1; SMN2POLBNPC1ALDH1A1CYP2C9
SCHEMBL38659235 0.78 GFER (0.44) KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL38658013 0.78 GFER (0.52) KMT2ATSHRL3MBTL1MEN1SMN1; SMN2
SCHEMBL27776460 0.78 HCRTR1 (0.54) KMT2ATSHRL3MBTL1MEN1ITGB3
SCHEMBL4742813 0.77 ALDH1A1 (0.60) SMN1; SMN2POLBNPC1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051321-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2015-06-09 US disclosed
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2014-12-04 US disclosed
US-8846711-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-09-30 US disclosed
EP-2501693-B1 AZA HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS BACTERICIDES FAB PHARMA SAS (FR) 2014-09-17 EP disclosed
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2012-11-01 US disclosed
EP-2501693-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB Pharma SAS (FR) 2012-09-26 EP disclosed
WO-2011061214-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-05-26 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 (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-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS KMT2A 4479/4885TSHR 3960/4885L3MBTL1 4836/4885
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS KMT2A 4479/4885TSHR 3960/4885L3MBTL1 4836/4885

“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.