SCHEMBL1336097

SCHEMBL1336097

Cln1nncc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KCNMA1 Q12791 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
IDO1 P14902 1/20 0.39
HDAC1 Q13547 1/20 0.38
FLT3 P36888 3/20 0.38
GSK3B P49841 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36

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
SCHEMBL11280381 0.74 CYP1A2 (0.45) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL5139302 0.74 CYP1A2 (0.45) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL5326699 0.74 PTGS1 (0.46) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL8656275 0.74 TSHR (0.49) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL3320095 0.74 PTGS1 (0.46) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL1395472 0.72 TSHR (0.70) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL2895467 0.72 CDC7 (0.61) CYP11B1CYP11B2IDO1HDAC1ALDH1A1
SCHEMBL27825639 0.70 FLT3 (0.73) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL24011415 0.69 HDAC1 (0.48) CYP1A2CYP3A4TSHRCYP2C19PTGS1
SCHEMBL11199768 0.69 CYP1A2 (0.41) CYP1A2CYP3A4TSHRCYP2C19PTGS1

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 8 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
CN-103002742-A Nuclear transport modulatiors and uses thereof KARYOPHARM THERAPEUTICS INC 2013-03-27 CN disclosed
EP-2542089-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2013-01-09 EP 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 CYP1A2 2337/4885CYP3A4 3032/4885TSHR 3969/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT CYP1A2 2337/4885CYP3A4 3032/4885TSHR 3969/4885

“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.