SCHEMBL6851679

SCHEMBL6851679

O=[N+]([O-])C=CN1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FBP1 P09467 2/20 0.33
ALDH1A3 P47895 1/20 0.31
VCP P55072 1/20 0.30

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
SCHEMBL13105362 0.81
SCHEMBL2890201 0.81 MITF (0.46) MITFALDH1A1MAPTHSP90AA1HTT
SCHEMBL9041209 0.81 MITF (0.46) MITFALDH1A1MAPTHSP90AA1HTT
SCHEMBL10808510 0.74 CYP2C19 (0.38) ALDH1A1HTTMEN1KMT2A
SCHEMBL9475147 0.73 ADRB1 (0.30)
SCHEMBL10807957 0.69
SCHEMBL29418137 0.69 FBP1 (0.44) ALDH1A1MAPTHSP90AA1SMN1; SMN2MEN1
SCHEMBL29418089 0.69 FBP1 (0.44) ALDH1A1MAPTHSP90AA1SMN1; SMN2MEN1
SCHEMBL4400521 0.67 FBP1 (0.37) MITFALDH1A1MAPTHSP90AA1HTT
SCHEMBL2701677 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 US claimed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP claimed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO claimed
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 US disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 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-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNH2, KCNA6, KCNA3 MITF 3927/4885ALDH1A1 2589/4885MAPT 4884/4885

“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.