SCHEMBL14744993

SCHEMBL14744993

COC(=O)c1ccc2c(ccn2C)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NR4A2 P43354 2/20 0.46
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL14745954 0.84 LMNA (0.40) LMNAHPGDALDH1A1MAPTL3MBTL1
SCHEMBL14757904 0.80 HDAC3 (0.42) LMNAHPGDALDH1A1TSHRHSD17B10
SCHEMBL14744771 0.79 LMNA (0.48) LMNAHPGDALDH1A1TSHRUSP2
SCHEMBL14744876 0.79 ALDH1A1 (0.44) LMNAHPGDALDH1A1TSHRUSP2
SCHEMBL27972960 0.78 MTNR1A (0.54) LMNAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL28151566 0.78 MEN1 (0.42) HPGDALDH1A1MAPTPKMKDM4E
SCHEMBL8913156 0.78 MEN1 (0.42) LMNAHPGDALDH1A1GAAMAPT
SCHEMBL5280954 0.77 LMNA (0.60) LMNAHPGDALDH1A1TSHRUSP2
SCHEMBL14745549 0.77 KDM4E (0.38) HPGDALDH1A1TSHRUSP2HSD17B10
SCHEMBL3511761 0.77 LMNA (0.63) LMNAHPGDALDH1A1TSHRUSP2

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 6 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

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 LMNA 2119/4885HPGD 1279/4885ALDH1A1 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.