SCHEMBL14745549

SCHEMBL14745549

Cn1ccc2c(OCc3ccccc3)c(CO)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SRD5A2 P31213 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RHEB Q15382 1/20 0.36
BCHE P06276 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36

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
SCHEMBL28151566 0.82 MEN1 (0.42) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8913156 0.82 MEN1 (0.42) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL27972960 0.80 MTNR1A (0.54) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9315204 0.78 HTR1A (0.43) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14745052 0.77 NPC1 (0.44) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL14744993 0.77 LMNA (0.49) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14745954 0.76 LMNA (0.40) L3MBTL1ALDH1A1MEN1KMT2AHPGD
SCHEMBL14744889 0.75 MAPT (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6627314 0.75 NPC1 (0.48) L3MBTL1NPC1RAB9AHPGDHTT
SCHEMBL16429061 0.74 BRD4 (0.41) ALDH1A1MEN1KMT2ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN disclosed
WO-2013033258-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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP KDM4E 4305/4885L3MBTL1 321/4885ALDH1A1 3792/4885

“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.