SCHEMBL989247

SCHEMBL989247

CC(C)CNc1cc(C=NC2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KAT2B Q92831 1/20 0.36
RAB9A P51151 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
HPGD P15428 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL988280 0.78 MAPT (0.57) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15082923 0.74 MAPT (0.61) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL990451 0.70 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7805715 0.70 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL989963 0.70 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28694709 0.70 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL991433 0.70 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28274222 0.68 MAPT (0.57) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19553578 0.67 MAPT (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27864294 0.67 MAPT (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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 MAPT 2603/4885CYP1A2 3740/4885CYP2C9 3799/4885

“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.