SCHEMBL3447293

SCHEMBL3447293

[CH2]c1nc2ccccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NR1H2 P55055 6/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
NR1H3 Q13133 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL133464 0.84 ALDH1A1 (0.57) CNR2L3MBTL1NR1H2ALDH1A1PKM
SCHEMBL25736832 0.82 L3MBTL1 (0.46) CNR2L3MBTL1NR1H2ALDH1A1PKM
SCHEMBL25168045 0.82 L3MBTL1 (0.46) CNR2L3MBTL1NR1H2ALDH1A1PKM
SCHEMBL4698252 0.82 SMN1; SMN2 (0.47) CNR2L3MBTL1NR1H2ALDH1A1PKM
SCHEMBL17329317 0.82 NPC1 (0.56) CNR2L3MBTL1NR1H2PKMKMT2A
SCHEMBL14838247 0.81 CYP1A2 (0.47) CNR2L3MBTL1NR1H2ALDH1A1NR1H3
SCHEMBL2340371 0.81 L3MBTL1 (0.45) CNR2L3MBTL1NR1H2ALDH1A1PKM
SCHEMBL2674793 0.80 L3MBTL1 (0.47) CNR2L3MBTL1NR1H2ALDH1A1PKM
SCHEMBL14300652 0.80 CYP1A2 (0.46) CNR2L3MBTL1NR1H2ALDH1A1NR1H3
SCHEMBL133915 0.80 CNR2 (0.51) CNR2L3MBTL1NR1H2ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD CNR2 517/4885L3MBTL1 4616/4885NR1H2 844/4885

“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.