SCHEMBL4283632

SCHEMBL4283632

N#Cc1cc(C(=O)Cl)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
RXRA P19793 1/20 0.47
RXRG P48443 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.46
TAS2R14 Q9NYV8 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.41
USP2 O75604 2/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
CYP2C19 P33261 1/20 0.39
XDH P47989 1/20 0.39
KIF11 P52732 1/20 0.38
VNN1 O95497 1/20 0.38
DDR1 Q08345 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29488327 0.84 MRGPRX4 (0.57) CES2RXRARXRGMRGPRX4TAS2R14
SCHEMBL545065 0.84 MRGPRX4 (0.57) CES2RXRARXRGMRGPRX4TAS2R14
SCHEMBL2789789 0.83 CES2 (0.50) CES2RXRARXRGMRGPRX4TAS2R14
SCHEMBL2393798 0.83 CES2 (0.50) CES2RXRARXRGMRGPRX4TAS2R14
SCHEMBL2562131 0.83 EPHX2 (0.39) RXRARXRGMRGPRX4KIF11VNN1
SCHEMBL11875236 0.81 GSK3B (0.40) MEN1KMT2A
SCHEMBL5222486 0.81 GSK3B (0.40) MRGPRX4MEN1KMT2A
SCHEMBL322157 0.81 CES2 (0.67) CES2RXRARXRG
SCHEMBL28798652 0.79 RXRA (0.47) CES2RXRARXRGMRGPRX4TAS2R14
SCHEMBL29656570 0.79 RXRA (0.47) CES2RXRARXRGMRGPRX4TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303000-B2 Olefin containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-04-05 US disclosed
US-9303000-B2 Olefin containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-04-05 US disclosed
EP-2665362-B1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2016-03-30 EP disclosed
EP-2665362-B1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2016-03-30 EP disclosed
EP-2665362-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2013-11-27 EP disclosed
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
WO-2012099807-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-07-26 WO disclosed
WO-2012099807-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-07-26 WO disclosed
WO-2009151626-A1 SUBSTITUTED (1, 2, 4-0XADIAZ0L-3-YL) INDOLIN-1-YL CARBOXYLIC ACID DERIVATIVES USEFUL AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2009-12-17 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 (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-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF NXF1, NCOA1, XPO1 CES2 4724/4885RXRA 1911/4885RXRG 1645/4885

“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.