SCHEMBL991466

SCHEMBL991466

CC(C)CNc1cc(-c2cncn2-c2ccccc2C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
APP P05067 1/20 0.35
IDO1 P14902 3/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDO2 P48775 1/20 0.33
PIK3CA P42336 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
SCHEMBL991467 0.73 ALDH1A1 (0.41) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL991479 0.71 MAPT (0.46) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL2389087 0.64 MAPT (0.68) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL989247 0.64 MAPT (0.53) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL989963 0.64 MAPT (0.60) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL28799465 0.63 KAT2B (0.55) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL15082923 0.62 MAPT (0.61) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL989748 0.61 MAPT (0.54) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL991433 0.61 MAPT (0.60) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL7805715 0.61 MAPT (0.60) MAPTALDH1A1HTTCYP1A2CYP2C9

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 2 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

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 MAPT 2603/4885ALDH1A1 3631/4885HTT 4547/4885

“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.