SCHEMBL12130296

SCHEMBL12130296

NC(=S)c1cc(NC2CCC2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAK1 Q13153 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PHGDH O43175 6/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
CSF1R P07333 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12128231 0.78 SMN1; SMN2 (0.38) LMNAGAAKMT2AMEN1SMN1; SMN2
SCHEMBL12130565 0.75 PTGS2 (0.46) LMNAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12130337 0.75 TRPA1 (0.45) RHOCRHOAGAAKMT2AHTT
SCHEMBL16904557 0.74 CTSC (0.43) LMNAGAAKMT2AHTTMEN1
SCHEMBL1968459 0.74 MALT1 (0.46) LMNARHOCRHOAKMT2AMEN1
SCHEMBL627496 0.74 GAA (0.56) LMNAGAAKMT2ANPSR1MAPT
SCHEMBL16904560 0.72 MALT1 (0.42) LMNARHOCRHOAPAK1
SCHEMBL12130294 0.71 TYK2 (0.44) LMNARHOA
SCHEMBL24512914 0.68 RHOC (0.44) RHOCRHOAKMT2AMEN1MAPT
SCHEMBL24632339 0.68 RHOC (0.44) RHOCRHOAKMT2AMEN1MAPT

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 LMNA 158/4885RHOC 3167/4885RHOA 2445/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT LMNA 158/4885RHOC 3167/4885RHOA 2445/4885

“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.