SCHEMBL12130271

SCHEMBL12130271

CN(C)CCOc1cc(C(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
XPO1 O14980 1/20 0.47
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
MAOB P27338 2/20 0.40
ESRRG P62508 1/20 0.39
LMNA P02545 1/20 0.39
CHEK1 O14757 1/20 0.39
ESR1 P03372 1/20 0.39
BRAF P15056 1/20 0.39
MGLL Q99685 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38

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
SCHEMBL12130273 0.86 AURKA (0.42) AURKARPS6KB1XPO1KDM4EALDH1A1
SCHEMBL31144917 0.83 PLA2G2A (0.47) ALDH1A1MAOB
SCHEMBL31144862 0.83 GPBAR1 (0.46) AURKARPS6KB1KDM4EALDH1A1MAOB
SCHEMBL12127913 0.80 MAPT (0.46) KDM4EALDH1A1MAPTLMNACHEK1
SCHEMBL12130272 0.79 XPO1 (0.41) AURKARPS6KB1XPO1KDM4EALDH1A1
SCHEMBL12331978 0.79 RHOC (0.44) AURKARPS6KB1KDM4EALDH1A1MAPT
SCHEMBL545466 0.79 MAPT (0.47) AURKARPS6KB1XPO1KDM4EALDH1A1
SCHEMBL29802272 0.79 MAPT (0.47) AURKARPS6KB1XPO1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL787783 0.77 MAPT (0.46) AURKARPS6KB1XPO1KDM4EALDH1A1
SCHEMBL10104419 0.77 MAPT (0.49) XPO1KDM4EALDH1A1MAPTESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
EP-2542089-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-01-18 EP disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 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 (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-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT AURKA 1231/4885RPS6KB1 1218/4885XPO1 1/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT AURKA 1231/4885RPS6KB1 1218/4885XPO1 1/4885

“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.