SCHEMBL1334565

SCHEMBL1334565

Clc1cccc(-c2ncn[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 1.00
ENPP2 Q13822 1/20 0.64
NOTUM Q6P988 2/20 0.51
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MPI P34949 1/20 0.49
GFER P55789 1/20 0.49
HRH1 P35367 1/20 0.47
SCN2A Q99250 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
NUDT1 P36639 1/20 0.45
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL5372315 0.83 IDO1 (0.69) IDO1ENPP2NOTUMNUDT1
SCHEMBL2659146 0.78 IDO1 (0.64) IDO1ENPP2GAAKDM4EALDH1A1
SCHEMBL1985682 0.78 IDO1 (0.64) IDO1ENPP2GAAALDH1A1MRGPRX4
SCHEMBL3080603 0.78 ENPP2 (1.00) IDO1ENPP2KDM4EALDH1A1
SCHEMBL16168686 0.78 IDO1 (0.64) IDO1ENPP2NOTUM
SCHEMBL970723 0.76 IDO1 (0.61) IDO1ENPP2GAAKDM4ESCN2A
SCHEMBL2721372 0.76 IDO1 (0.60) IDO1ENPP2GAAKDM4EALDH1A1
SCHEMBL29516758 0.74 IDO1 (0.58) IDO1ENPP2GAAKDM4EALDH1A1
SCHEMBL10066580 0.74 IDO1 (0.58) IDO1ENPP2NOTUMMRGPRX4
SCHEMBL10022419 0.74 IDO1 (0.58) IDO1ENPP2GAAMRGPRX4

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 9 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
CN-103002742-B Nuclear translocation regulator and application thereof 卡尔约药物治疗公司 2016-07-13 CN 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 IDO1 2852/4885ENPP2 2106/4885NOTUM 4789/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT IDO1 2852/4885ENPP2 2106/4885NOTUM 4789/4885

“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.