SCHEMBL3788035

SCHEMBL3788035

CN(C)C(=O)c1c(-c2ccccc2)c(F)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.49
KDM4E B2RXH2 4/20 0.47
TSHR P16473 3/20 0.46
TP53 P04637 3/20 0.46
CYP3A4 P08684 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 2/20 0.44
CYP1A2 P05177 2/20 0.44
PDE10A Q9Y233 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL28881614 0.84 LMNA (0.70) ALDH1A1LMNAKDM4ETSHRTP53
SCHEMBL3776440 0.83 LMNA (0.69) LMNAKDM4ETSHRMEN1CYP2D6
SCHEMBL3775455 0.80 LMNA (0.49) ALDH1A1LMNAKDM4ETSHRCYP3A4
SCHEMBL3782566 0.72 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ETSHRTP53
SCHEMBL28958192 0.72 MAPT (0.68) ALDH1A1LMNAKDM4ECYP3A4MEN1
SCHEMBL3588820 0.70 CYP3A4 (0.65) ALDH1A1LMNAKDM4ETSHRTP53
SCHEMBL2934268 0.68 LMNA (0.69) LMNATSHRTP53HSD17B10MEN1
SCHEMBL3782557 0.68 KDM4E (0.59) ALDH1A1LMNAKDM4EHSD17B10MEN1
SCHEMBL10760283 0.68 TSHR (0.72) LMNAKDM4ETSHRCYP3A4MEN1
SCHEMBL2806955 0.67 LMNA (0.73) ALDH1A1LMNAKDM4ETSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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 (2 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ALDH1A1 3890/4885LMNA 2321/4885KDM4E 1810/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ALDH1A1 3905/4885LMNA 2309/4885KDM4E 1806/4885

“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.