SCHEMBL4959550

SCHEMBL4959550

CCOC(=O)C(C#N)=CNc1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
ALDH1A1 P00352 11/20 0.62
KDM4E B2RXH2 6/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 2/20 0.62
KMT2A Q03164 4/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
GLA P06280 1/20 0.53
PKM P14618 2/20 0.51
HTT P42858 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL4959548 1.00 NPSR1 (0.65) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4960676 0.86 ALDH1A1 (0.55) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4960671 0.86 ALDH1A1 (0.55) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4960482 0.86 ALDH1A1 (0.57) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4963249 0.86 ALDH1A1 (0.57) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23899149 0.86 ALDH1A1 (0.57) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4963254 0.86 ALDH1A1 (0.57) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4960479 0.86 ALDH1A1 (0.57) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18375567 0.86 ALDH1A1 (0.57) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4960510 0.83 ALDH1A1 (0.54) NPSR1SMN1; SMN2NPC1RAB9AALDH1A1

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
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 NPSR1 3650/4885SMN1; SMN2 4362/4885NPC1 3109/4885

“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.