SCHEMBL2172848

SCHEMBL2172848

O[C@H]1CCOc2c(Br)cc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.40
TERT O14746 1/20 0.36
AHR P35869 2/20 0.34
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A4 P31645 1/20 0.32
AR P10275 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL24345594 0.83 MAP3K14 (0.45) MAP3K14ADRA2AADRA2BADRA2CADRA1A
SCHEMBL16396399 0.83 MAP3K14 (0.49) MAP3K14ADRA2AADRA2BADRA2CADRA1A
SCHEMBL10036720 0.79 TERT (0.36) TERTAHRALOX15ALOX12ADRA2A
SCHEMBL10036710 0.79 TERT (0.36) TERTAHRALOX15ALOX12ADRA2A
Hydrochloric Acid SCHEMBL2171764 0.77 TERT (0.35) TERTAHRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29200781 0.77 TERT (0.35) TERTAHRADRA2AADRA2BADRA2C
SCHEMBL25166562 0.75 ADRA2A (0.50) MAP3K14ADRA2AADRA2BADRA2CADRA1A
SCHEMBL31347583 0.74 ADRA2A (0.40) MAP3K14ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1271967 0.71 MAP3K14 (0.51) MAP3K14AHRADRA2AHTR1ACYP2D6
SCHEMBL14904042 0.71 TERT (0.32) TERT

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
EP-2601193-B1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND (IE) 2015-03-11 EP disclosed
EP-2091536-B1 ENANTIOMERIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE INC (US) 2013-07-31 EP disclosed
US-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-05-02 US disclosed
US-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-05-02 US disclosed
WO-2012017030-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM ELANCO ANIMAL HEALTH IRELAND LIMITED (IE) 2012-02-09 WO disclosed
US-7973050-B2 5-[3-((R)(-)-5,7-Dibromo-1,2,3,4-tetrahydro-naphthalen-1-ylamino)-propylamino]-4H-thieno[3,2-b]pyridine-7-one; optically active; new target antibiotic, inhibitor of bacterial methionyl tRNA synthetase; antibiotic resistance; Clostridium difficile infection; mostly in immunodeficient, elderly CRESTONE, INC. (US) 2011-07-05 US disclosed
EP-2091536-A2 ENANTIOMERIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Crestone, Inc. (US) 2009-08-26 EP disclosed
US-20080108651-A1 Enantiomeric Compounds With Antibacterial Activity REPLIDYNE, INC. (US) 2008-05-08 US disclosed
WO-2008039640-A2 ENANTIOMERIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE, INC. (US) 2008-04-03 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-20130109694-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AGAINST CLOSTRIDIUM VIP, PRF1, C5 MAP3K14 2628/4885TERT 4725/4885AHR 4330/4885
US-20080108651-A1 Enantiomeric Compounds With Antibacterial Activity MTR, HMBS, MAT1A MAP3K14 4467/4885TERT 3075/4885AHR 1238/4885

“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.