SCHEMBL4100802

SCHEMBL4100802

O=[N+]([O-])c1cc(-c2nnn[nH]2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
DHFR P00374 1/20 0.48
ADORA1 P30542 1/20 0.43
VCAM1 P19320 6/20 0.43
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALPL P05186 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL31587453 0.82 ALDH1A1 (0.46) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL5311953 0.82 MAPT (0.60) MAPTMEN1ALDH1A1KMT2ADHFR
SCHEMBL23850830 0.82 ALDH1A1 (0.46) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL30750463 0.79 TDP1 (0.47) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL27176841 0.79 TDP1 (0.47) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL23327052 0.79 MEN1 (0.44) MAPTMEN1ALDH1A1KMT2AALPL
SCHEMBL1068602 0.79 TDP1 (0.47) MAPTMEN1ALDH1A1KMT2ADHFR
SCHEMBL703287 0.77 AHR (0.48) MAPTMEN1ALDH1A1KMT2AADORA1
SCHEMBL5992360 0.77 VCAM1 (0.60) MAPTMEN1ALDH1A1KMT2ADHFR
SCHEMBL4412067 0.77 MAPT (0.50) MAPTMEN1ALDH1A1KMT2ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 MAPT 1880/4885MEN1 3889/4885ALDH1A1 4089/4885

“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.