SCHEMBL989316

SCHEMBL989316

CC(C)Nc1cc(C(=O)C(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.59
CES2 O00748 3/20 0.58
CES1 P23141 2/20 0.58
MAPT P10636 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
RECQL P46063 1/20 0.43

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
Acetamide SCHEMBL28865377 0.85 MAPK1 (0.56) HCAR3CES2CES1MAPTCYP1A2
Hydrochloric Acid SCHEMBL7428031 0.85 HCAR3 (0.76) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL25351095 0.81 HCAR3 (0.58) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30370129 0.81 HCAR3 (0.58) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL989785 0.75 CES2 (0.58) HCAR3CES2CES1MAPTRECQL
SCHEMBL4238591 0.74 HCAR3 (1.00) HCAR3
SCHEMBL12497325 0.74 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL103504 0.74 HCAR3 (0.55) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30274042 0.74 HCAR3 (0.55) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL989349 0.74 MAPT (0.51) HCAR3MAPTCYP1A2CYP3A4CYP2C9

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

“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.