SCHEMBL14746265

SCHEMBL14746265

C=CCOc1cc2[nH]c(C(=O)OCC)cc2cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MMP13 P45452 8/20 0.46
MMP2 P08253 6/20 0.46

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
SCHEMBL14745972 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL2415889 0.83 ALDH1A1 (0.60) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL31027374 0.83 ALDH1A1 (0.60) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL10506739 0.79 ALOX15 (0.60) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL7248944 0.79 KDM4E (0.69) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL1397951 0.78 ALDH1A1 (0.60) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL18332146 0.77 KDM4E (0.52) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL18131088 0.76 KDM4E (0.60) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL22760538 0.76 ALOX15 (0.63) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL8555912 0.75 SRD5A2 (0.47) KDM4EALDH1A1HPGDRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP KDM4E 4305/4885ALDH1A1 3792/4885HPGD 1279/4885

“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.