SCHEMBL5405448

SCHEMBL5405448

C=CCNc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
L3MBTL1 Q9Y468 5/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
PKM P14618 1/20 0.56
HCAR3 P49019 1/20 0.53
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALPG P10696 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.42
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL22191673 0.82 MAPT (0.60) MAPTL3MBTL1KMT2AMEN1PKM
SCHEMBL1286500 0.82 MAPT (0.60) MAPTL3MBTL1KMT2AMEN1PKM
SCHEMBL2016758 0.80 MAPT (0.63) MAPTL3MBTL1PKMHCAR3LMNA
SCHEMBL27669245 0.80 TSHR (0.53) MAPTL3MBTL1PKMLMNATSHR
SCHEMBL7129606 0.78 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL1344661 0.78 HCAR3 (0.58) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL1520169 0.77 MAPT (0.64) MAPTL3MBTL1KMT2AMEN1PKM
SCHEMBL5352344 0.77 ALDH1A1 (0.80) MAPTL3MBTL1KMT2AMEN1PKM
SCHEMBL23144863 0.76 MAPT (0.59) MAPTL3MBTL1PKMLMNATSHR
SCHEMBL989963 0.76 MAPT (0.60) MAPTL3MBTL1KMT2AMEN1PKM

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
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 MAPT 2991/4885L3MBTL1 2444/4885KMT2A 165/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 MAPT 2991/4885L3MBTL1 2444/4885KMT2A 165/4885

“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.