SCHEMBL14744985

SCHEMBL14744985

Clc1cc(OCc2ccccc2)cc(OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
GRM5 P41594 2/20 0.49
PRMT5 O14744 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NUDT1 P36639 1/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAOB P27338 4/20 0.44
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL31287796 1.00 ALOX5 (0.50) ALOX5GRM5PRMT5MEN1KMT2A
SCHEMBL29666622 0.91 NUDT1 (0.48) ALOX5GRM5PRMT5MEN1KMT2A
SCHEMBL23531939 0.90 MAOB (0.50) ALOX5PRMT5MEN1KMT2ACYP3A4
SCHEMBL8550828 0.90 ALOX5 (0.56) ALOX5PRMT5MEN1KMT2ACYP3A4
SCHEMBL2521216 0.89 ALOX5 (0.60) ALOX5MEN1KMT2ANUDT1CYP3A4
SCHEMBL8773184 0.89 MAOB (0.51) ALOX5GRM5PRMT5NUDT1LMNA
SCHEMBL31287990 0.89 MAOB (0.51) ALOX5GRM5PRMT5NUDT1LMNA
SCHEMBL18864590 0.89 MAOB (0.51) ALOX5PRMT5MEN1KMT2ACYP3A4
SCHEMBL30522847 0.89 MAOB (0.51) ALOX5PRMT5MEN1KMT2ACYP3A4
SCHEMBL20765124 0.85 ALOX5 (0.43) ALOX5GRM5PRMT5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033240-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 (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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP ALOX5 1958/4885GRM5 3506/4885PRMT5 3990/4885
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP ALOX5 1958/4885GRM5 3506/4885PRMT5 3990/4885

“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.