SCHEMBL14745252

SCHEMBL14745252

CCCC(=O)c1ccc2c(ccn2CCOC2CCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H2 P55055 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H3 Q13133 1/20 0.39
PLA2G4A P47712 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
CREBBP Q92793 1/20 0.37
PDE4D Q08499 4/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 2/20 0.36
EPHX2 P34913 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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 0.88 MEN1 (0.55) MEN1KMT2AACHENPC1RAB9A
SCHEMBL31133372 0.88 MEN1 (0.55) MEN1KMT2AACHENPC1RAB9A
SCHEMBL14745671 0.85 NPC1 (0.36) MEN1KMT2AACHENPC1RAB9A
SCHEMBL14745670 0.85 NPC1 (0.36) MEN1KMT2AACHENPC1RAB9A
SCHEMBL14745173 0.78 HTR7 (0.50) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL15560499 0.78 CYP2A6 (0.41) MEN1KMT2ANPC1RAB9APLA2G4A
SCHEMBL16440983 0.76 PLG (0.48) NPC1RAB9APLA2G4AHPGDTUBB4A
SCHEMBL14744883 0.76 HPGD (0.45) MEN1KMT2AACHENPC1RAB9A
SCHEMBL30961594 0.76 KDM4C (0.49) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL29275183 0.73 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4C

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 MEN1 4630/4885KMT2A 4450/4885ACHE 3599/4885

“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.