SCHEMBL641798

SCHEMBL641798

N#Cc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
GAA P10253 1/20 0.69
MAPT P10636 3/20 0.55
AR P10275 4/20 0.50
HTR2A P28223 3/20 0.50
SLC6A4 P31645 3/20 0.50
MAPK14 Q16539 2/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTT P42858 1/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45

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
SCHEMBL3421693 0.88 POLB (0.79) POLBGAAARMAPK14HTT
SCHEMBL28984279 0.84 KDM4E (0.53) POLBGAAMAPTARHTR2A
SCHEMBL30441601 0.84 GAA (0.72) POLBGAAMAPTARMAPK14
SCHEMBL1162713 0.84 GAA (0.72) POLBGAAMAPTARMAPK14
SCHEMBL27607640 0.83 POLB (0.71) POLBGAAMAPTARMAPK14
SCHEMBL6871605 0.81 POLB (0.69) POLBGAAARSLC6A4MAPK14
SCHEMBL29681639 0.81 GAA (0.74) POLBGAAARHTR2ASLC6A4
SCHEMBL9590630 0.81 GAA (0.74) POLBGAAARHTR2ASLC6A4
SCHEMBL22169508 0.81 POLB (1.00) POLBGAAMAPTARSLC6A4
SCHEMBL28550648 0.81 POLB (0.69) POLBGAAARMAPK14LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103002742-B Nuclear translocation regulator and application thereof 卡尔约药物治疗公司 2016-07-13 CN 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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
EP-0516234-B1 Phenoxyphenyl derivatives AKZO NOBEL NV (NL) 1995-09-13 EP disclosed
US-5430063-A Antidepressants AKZO N.V. (NL) 1995-07-04 US disclosed
US-5190965-A Treatment of depression AKZO N.V. (NL) 1993-03-02 US disclosed
EP-0516234-A1 Phenoxyphenyl derivatives Akzo Nobel N.V. (NL) 1992-12-02 EP 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-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT POLB 4035/4885GAA 3958/4885MAPT 2798/4885
US-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 POLB 3790/4885GAA 4841/4885MAPT 4851/4885

“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.