SCHEMBL5352344

SCHEMBL5352344

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

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
NPSR1 Q6W5P4 1/20 0.80
MAPT P10636 9/20 0.64
PKM P14618 1/20 0.64
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALPG P10696 1/20 0.55
POLB P06746 1/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KAT2B Q92831 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.44

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
SCHEMBL4743774 0.92 ALDH1A1 (0.67) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL17749591 0.86 MAPT (0.61) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL8886382 0.85 MAPT (0.63) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL8985656 0.84 KAT2B (0.64) ALDH1A1NPSR1MAPTPKMSMN1; SMN2
SCHEMBL17678162 0.83 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL7745736 0.83 ALDH1A1 (0.59) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL11048929 0.81 MAPT (0.65) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL1520169 0.81 MAPT (0.64) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL7973719 0.81 ALDH1A1 (0.85) ALDH1A1NPSR1MAPTPKMLMNA
SCHEMBL9725384 0.81 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTLMNASMN1; SMN2

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
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
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-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 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
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 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 (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 ALDH1A1 955/4885NPSR1 4582/4885MAPT 2991/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 ALDH1A1 955/4885NPSR1 4582/4885MAPT 2991/4885

“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.