SCHEMBL4012093

SCHEMBL4012093

CC(C)(C)c1nc(C(=O)O)nn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.51
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL21816430 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1GRNSORT1KMT2A
SCHEMBL4017916 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1GRNSORT1KMT2A
SCHEMBL6029647 0.78 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KMT2ATDP1GAA
SCHEMBL18134386 0.76 ATM (0.44) SMN1; SMN2ALDH1A1GRNSORT1TDP1
SCHEMBL9300374 0.76 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1GRNSORT1KMT2A
SCHEMBL10733446 0.75 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GRNSORT1POLB
SCHEMBL28248219 0.75 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1GRNSORT1KMT2A
SCHEMBL21816179 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2ATDP1GAA
SCHEMBL21816280 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2ATDP1GAA
SCHEMBL3626990 0.73 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KMT2ACYP1A2CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 SMN1; SMN2 3501/4885ALDH1A1 1426/4885GRN 1823/4885

“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.