SCHEMBL989805

SCHEMBL989805

CC(Nc1cc(C#Cc2ccccc2)ccc1[N+](=O)[O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
ALDH1A1 P00352 10/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HTR6 P50406 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.37
HCAR3 P49019 1/20 0.36
MAPK1 P28482 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL989806 1.00 MAPT (0.41) MAPTALDH1A1NPSR1HTR6HTT
SCHEMBL989349 0.87 MAPT (0.51) MAPTALDH1A1NPSR1HTR6HTT
SCHEMBL14279372 0.80 ALDH1A1 (0.42) MAPTALDH1A1NPSR1HTR6SMN1; SMN2
SCHEMBL3991679 0.79 KMT2A (0.54) MAPTALDH1A1NPSR1HTR6HTT
SCHEMBL990669 0.79 MAPT (0.53) MAPTALDH1A1NPSR1HTR6HTT
SCHEMBL28408474 0.78 MAPK1 (0.49) MAPTALDH1A1NPSR1SMN1; SMN2CRHBP
SCHEMBL28408473 0.78 MAPK1 (0.49) MAPTALDH1A1NPSR1SMN1; SMN2CRHBP
SCHEMBL990445 0.78 MAPT (0.40) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL990443 0.78 MAPT (0.40) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL990043 0.76 MAPT (0.48) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2

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 3631/4885NPSR1 3677/4885

“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.