SCHEMBL14745014

SCHEMBL14745014

c1ccc(COc2ccnc(OCc3ccccc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.61
ALOX5 P09917 1/20 0.55
CYP3A4 P08684 1/20 0.53
MAOB P27338 7/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
BCHE P06276 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAOA P21397 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NSD2 O96028 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL2175219 0.91 GABRA5 (0.60) GABRA5ALOX5CYP3A4MAOBLMNA
SCHEMBL16782973 0.90 GABRA5 (0.56) GABRA5ALOX5CYP3A4MAOBCYP4F2
SCHEMBL2176479 0.89 MAOB (0.58) GABRA5ALOX5CYP3A4MAOBBCHE
SCHEMBL501711 0.88 MAOB (0.60) GABRA5ALOX5CYP3A4MAOBCYP4F2
SCHEMBL30825708 0.88 MAOB (0.60) GABRA5MAOBBCHE
SCHEMBL24998828 0.84 GABRA5 (0.48) GABRA5ALOX5CYP3A4MAOBCYP4F2
SCHEMBL9005108 0.84 GABRA5 (0.48) GABRA5ALOX5CYP3A4MAOBCYP4F2
SCHEMBL7964667 0.83 ALOX5 (0.56) ALOX5CYP3A4MAOBCYP4F2CYP4A11
SCHEMBL2521216 0.82 ALOX5 (0.60) ALOX5CYP3A4MAOBCYP4F2CYP4A11
SCHEMBL23121619 0.82 GABRA5 (0.53) GABRA5ALOX5CYP3A4MAOBHIF1A

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-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO 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 (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 GABRA5 3477/4885ALOX5 1958/4885CYP3A4 4170/4885
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP GABRA5 3477/4885ALOX5 1958/4885CYP3A4 4170/4885

“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.