SCHEMBL4199733

SCHEMBL4199733

N#Cc1cncc(-c2cccc([N+](=O)[O-])c2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX15 P16050 1/20 0.42
PELI1 Q96FA3 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.41
VCAM1 P19320 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40

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
SCHEMBL4185385 0.85 VCAM1 (0.47) TDP1TSHRLMNAALDH1A1MAPT
SCHEMBL7355534 0.77 PDE4B (0.59) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL7355080 0.75 PDE4A (0.46) TSHRLMNAALDH1A1MAPTNPC1
SCHEMBL12679739 0.73 TSHR (0.52) TSHRLMNAALDH1A1MAPTNPC1
SCHEMBL2650056 0.72 LMNA (0.47) TSHRLMNAALDH1A1MAPTNPC1
Dinitrophenylene SCHEMBL27485048 0.72 TSHR (0.77) TDP1TSHRLMNAALDH1A1MAPT
SCHEMBL6440266 0.70 LMNA (0.52) TDP1TSHRLMNAALDH1A1MAPT
SCHEMBL7240478 0.69 PDE4D (0.60) TDP1TSHRLMNAALDH1A1MAPT
SCHEMBL6776150 0.69 LMNA (0.50) TDP1TSHRLMNAALDH1A1MAPT
SCHEMBL8711545 0.68 ALDH1A1 (0.60) TDP1TSHRLMNAALDH1A1MAPT

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-2027093-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-02-25 EP disclosed
WO-2007146323-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 US 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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 TDP1 966/4885TSHR 1500/4885LMNA 2130/4885

“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.