SCHEMBL990014

SCHEMBL990014

CC(C)CNc1c(-c2c[nH]nc2-c2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.36
APP P05067 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
EGFR P00533 1/20 0.33
ADAMTS4 O75173 1/20 0.33
GPR68 Q15743 1/20 0.33
PTPRC P08575 1/20 0.33
S100A4 P26447 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3654803 0.72 ALDH1A1 (0.62) TDP1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL5242265 0.71 KMT2A (0.49) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3990668 0.70 MAPK14 (0.37) TDP1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL30502861 0.70 KMT2A (0.47) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23609702 0.67 ALDH1A1 (0.54) TDP1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL990178 0.66 HDAC1 (0.40)
SCHEMBL28799465 0.66 KAT2B (0.55) TDP1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6852838 0.65 HSD17B10 (0.49) TDP1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL1772257 0.63 TDP1 (0.55) TDP1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL8757316 0.63 ALDH1A1 (0.46) TDP1ALDH1A1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 TDP1 1481/4885ALDH1A1 3631/4885MAPT 2603/4885

“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.