SCHEMBL718946

SCHEMBL718946

Clc1ccc(OCc2ccccc2)c(I)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRMT5 O14744 1/20 0.43
MAPK14 Q16539 3/20 0.42
LTA4H P09960 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
PTGER1 P34995 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FFAR1 O14842 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MGAM O43451 1/20 0.40

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
SCHEMBL28848218 0.83 MAPT (0.46) MAPTL3MBTL1MAPK1TDP1PRMT5
SCHEMBL30522860 0.83 MAPT (0.46) MAPTL3MBTL1MAPK1TDP1PRMT5
SCHEMBL15595742 0.81 APP (0.51) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL22850860 0.80 MAPT (0.43) MAPTL3MBTL1MAPK1TDP1PRMT5
SCHEMBL3943486 0.80 L3MBTL1 (0.51) MAPTL3MBTL1MAPK1TDP1SMN1; SMN2
SCHEMBL30858374 0.80 SMN1; SMN2 (0.56) MAPTL3MBTL1MAPK1TDP1PRMT5
SCHEMBL12226818 0.79 PRMT5 (0.45) MAPTL3MBTL1MAPK1TDP1PRMT5
SCHEMBL6639600 0.78 MAPT (0.44) MAPTL3MBTL1MAPK1TDP1MAPK14
SCHEMBL24975372 0.78 HTR2C (0.41) MAPTL3MBTL1MAPK1TDP1MAPK14
SCHEMBL8694664 0.78 S1PR4 (0.51) MAPTL3MBTL1MAPK1TDP1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753325-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-31 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 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 (4 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885L3MBTL1 4088/4885MAPK1 320/4885
US-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 MAPT 3642/4885L3MBTL1 1151/4885MAPK1 2875/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885L3MBTL1 4088/4885MAPK1 320/4885
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 MAPT 4324/4885L3MBTL1 4100/4885MAPK1 2398/4885

“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.