SCHEMBL990669

SCHEMBL990669

CC(C)CNc1cc(C#Cc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTT P42858 1/20 0.53
APP P05067 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 2/20 0.39
SIRT6 Q8N6T7 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR1 O14842 1/20 0.38
KMT2A Q03164 1/20 0.37
KAT2B Q92831 1/20 0.37

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
SCHEMBL990061 0.90 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28274222 0.84 MAPT (0.57) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19553578 0.83 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL989349 0.83 MAPT (0.51) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3991679 0.82 KMT2A (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL989805 0.79 MAPT (0.41) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL989806 0.79 MAPT (0.41) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14279372 0.79 ALDH1A1 (0.42) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28799465 0.77 KAT2B (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15082923 0.76 MAPT (0.61) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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 2603/4885ALDH1A1 3631/4885CYP1A2 3740/4885

“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.