SCHEMBL14745173

SCHEMBL14745173

Brc1ccc2c(ccn2CCOC2CCCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.50
KDM4C Q9H3R0 1/20 0.41
HTR6 P50406 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KRAS P01116 1/20 0.34
MET P08581 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34

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
SCHEMBL21818907 0.83 MEN1 (0.55) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL15560499 0.83 CYP2A6 (0.41) HTR7KDM4CNPC1RAB9AL3MBTL1
SCHEMBL31133372 0.83 MEN1 (0.55) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30961594 0.83 KDM4C (0.49) KDM4CHTR6NPC1RAB9AHTR2A
SCHEMBL14745252 0.78 MEN1 (0.42) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL14745670 0.75 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL14745671 0.75 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL29107222 0.75 HTR7 (0.53) HTR7HTR6HTR2AHTR2CKRAS
SCHEMBL31180517 0.75 MEN1 (0.41) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL29275242 0.75 NPC1 (0.50) HTR7KDM4CNPC1RAB9AHTR2A

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
WO-2013033258-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 (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 HTR7 4704/4885KDM4C 3673/4885HTR6 4729/4885

“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.