SCHEMBL514262

SCHEMBL514262

[CH2]OC(=O)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CYP1A2 P05177 2/20 0.53
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.49
PTPN1 P18031 2/20 0.48
C1S P09871 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 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
SCHEMBL7655031 0.83 PARP1 (0.61) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL5488346 0.83 PARP1 (0.61) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL247378 0.82 PARP1 (0.64) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL514886 0.80 MAPK1 (0.56) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL27030553 0.80 PARP1 (0.62) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL145700 0.80 KDM4E (0.59) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL29818019 0.80 KDM4E (0.59) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL3623562 0.79 PARP1 (0.52) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL5488350 0.78 SMN1; SMN2 (0.61) PARP1SMN1; SMN2HPGDGAANFKB1
SCHEMBL245137 0.77 KDM4E (0.65) SMN1; SMN2MAPK1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 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 (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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 PARP1 4722/4885SMN1; SMN2 4115/4885HPGD 3162/4885

“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.