SCHEMBL21180807

SCHEMBL21180807

CC(C)[C@H](C)c1nc(-c2ccccc2)co1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.43
ENPP1 P22413 5/20 0.43
HSD11B1 P28845 3/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 2/20 0.38
TRPV3 Q8NET8 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35
NR3C2 P08235 1/20 0.35
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10052155 0.85 ENPP3 (0.45) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL6668389 0.82 ENPP3 (0.43) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL30765909 0.82 ENPP3 (0.43) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL13848629 0.79 ENPP3 (0.44) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL13744630 0.77 ENPP3 (0.42) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL30003076 0.74 PGR (0.40) ENPP3ENPP1HSD11B1ALDH1A1DAGLA
SCHEMBL2265105 0.71 ENPP3 (0.68) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL31558543 0.70 HSD11B1 (0.35) ENPP3ENPP1HSD11B1MEN1KMT2A
SCHEMBL17516272 0.69 ENPP3 (0.59) ENPP3ENPP1MEN1KMT2ARAB9A
SCHEMBL278182 0.69 ENPP3 (0.69) ENPP3ENPP1HSD11B1MEN1KMT2A

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-10358427-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-23 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-10358427-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT ENPP3 892/4885ENPP1 1115/4885HSD11B1 198/4885

“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.