SCHEMBL3027583

SCHEMBL3027583

NCc1ccc(Cl)c(Oc2cc(Br)c(F)cc2[N+](=O)[O-])c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
VCAM1 P19320 1/20 0.33
MAPT P10636 4/20 0.33
MERTK Q12866 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
PDE7A Q13946 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ATM Q13315 1/20 0.31
SLC6A4 P31645 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3032313 0.90 HSPB1 (0.38) HSPB1MEN1KMT2AVCAM1MAPT
SCHEMBL3032972 0.83 HSPB1 (0.40) HSPB1MEN1KMT2AMAPTMERTK
SCHEMBL3034843 0.76 MAPT (0.34) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL3016464 0.72 PNMT (0.33) SLC6A4
SCHEMBL433328 0.72 MAPT (0.42) MEN1KMT2AVCAM1MAPTPKM
SCHEMBL16068860 0.68 SMN1; SMN2 (0.43) HSPB1MEN1KMT2AMAPTLMNA
SCHEMBL16972865 0.67 MAPK1 (0.46) VCAM1MAPTPKMPDE7AMAPK1
SCHEMBL17466124 0.67 ALDH1A1 (0.49) HSPB1MEN1KMT2AMAPTMERTK
SCHEMBL16068847 0.67 HSPB1 (0.48) HSPB1MEN1KMT2AMAPTMERTK
SCHEMBL16069478 0.67 PIN1 (0.46) HSPB1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 HSPB1 4391/4885MEN1 3585/4885KMT2A 751/4885

“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.