SCHEMBL990043

SCHEMBL990043

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALPG P10696 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR2 P41597 2/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL990044 1.00 MAPT (0.48) MAPTPKMMAPK1TSHRLMNA
SCHEMBL2976885 0.84 MAPT (0.58) MAPTPKMMAPK1TSHRLMNA
SCHEMBL28408473 0.78 MAPK1 (0.49) MAPTPKMMAPK1LMNAL3MBTL1
SCHEMBL28408474 0.78 MAPK1 (0.49) MAPTPKMMAPK1LMNAL3MBTL1
SCHEMBL16752918 0.78 MAPK1 (0.53) MAPTPKMMAPK1TSHRLMNA
SCHEMBL7668997 0.78 ALDH1A1 (0.56) MAPTPKMMAPK1TSHRLMNA
SCHEMBL7173342 0.78 ALDH1A1 (0.56) MAPTPKMMAPK1TSHRLMNA
SCHEMBL28588720 0.78 L3MBTL1 (0.45) MAPTPKMMAPK1TSHRLMNA
SCHEMBL30483228 0.78 L3MBTL1 (0.45) MAPTPKMMAPK1TSHRLMNA
SCHEMBL28588718 0.78 L3MBTL1 (0.45) MAPTPKMMAPK1TSHRLMNA

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 2603/4885PKM 606/4885MAPK1 176/4885

“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.