SCHEMBL1854573

SCHEMBL1854573

NCc1c(Br)cc(C(N)=O)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
HTT P42858 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PARP1 P09874 3/20 0.41
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAP2K1 Q02750 1/20 0.36
TTR P02766 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL1856918 0.83 TTR (0.56) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29171993 0.75 HTT (0.40) TSHRHTTAPOBEC3AAPOBEC3GNCOA1
SCHEMBL30848158 0.75 HTT (0.40) TSHRHTTAPOBEC3AAPOBEC3GNCOA1
SCHEMBL4351080 0.75 TTR (0.62) TSHRHTTAPOBEC3AAPOBEC3GNCOA1
SCHEMBL1857252 0.74 PARP1 (0.46) TSHRHTTAPOBEC3AAPOBEC3GNCOA1
SCHEMBL1003817 0.73 TSHR (0.53) TSHRHTTAPOBEC3AAPOBEC3GNCOA1
SCHEMBL15410060 0.73 HTT (0.48) TSHRHTTAPOBEC3AAPOBEC3GNCOA1
SCHEMBL15409085 0.73 HTT (0.48) TSHRHTTAPOBEC3AAPOBEC3GNCOA1
SCHEMBL28661082 0.72 TAAR1 (0.39) TSHRALDH1A1MAPTKDM4ECYP3A4
SCHEMBL29172047 0.71 HTT (0.37) TSHRHTTAPOBEC3AAPOBEC3GNCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TSHR 1096/4885HTT 2944/4885APOBEC3A 4879/4885

“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.