SCHEMBL989785

SCHEMBL989785

CC(C)CNc1ccc(C(=O)C(=O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
HCAR3 P49019 14/20 0.55
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
CDC25B P30305 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
SCHEMBL3440916 0.84 HCAR3 (0.57) HCAR3MAPTKMT2APKMNPC1
SCHEMBL2251103 0.82 KMT2A (0.61) HCAR3MAPTKMT2APKMMEN1
Methyl Alcohol SCHEMBL28856375 0.78 HCAR3 (0.51) HCAR3MAPTKMT2APKMNPC1
SCHEMBL28799465 0.76 KAT2B (0.55) MAPTKMT2AMEN1NPC1
SCHEMBL14106469 0.76 KMT2A (0.56) MAPTKMT2AMEN1NPC1RECQL
SCHEMBL990061 0.76 MAPT (0.44) HCAR3MAPTKMT2APKMMEN1
SCHEMBL10249376 0.76 KAT2B (0.61) HCAR3MAPTNPC1
SCHEMBL1496476 0.75 ALDH1A1 (0.55) MAPTKMT2APKMMEN1NPC1
SCHEMBL989316 0.75 HCAR3 (0.59) CES2CES1HCAR3MAPTRECQL
SCHEMBL400483 0.75 HCAR3 (0.62) HCAR3MAPTKMT2APKMMEN1

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 CES2 3750/4885CES1 2629/4885HCAR3 3757/4885

“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.