SCHEMBL14744803

SCHEMBL14744803

CCc1ccc(=O)[nH]c1-c1ccc2c(c1)CCCN2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 2/20 0.41
TNKS O95271 2/20 0.39
PARP1 P09874 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
WDR5 P61964 1/20 0.39
KDM4E B2RXH2 2/20 0.36
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CYP11B1 P15538 2/20 0.35
USP2 O75604 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
SCHEMBL14745042 0.80 ALDH1A1 (0.41) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL14745405 0.77 KCNH2 (0.39) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL28686264 0.77 HPGD (0.46) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL14741280 0.73 PARP1 (0.39) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL16567897 0.72 ALDH1A1 (0.46) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL14740926 0.72 NOTUM (0.46) ALDH1A1GAAHPGDMAPTNOTUM
SCHEMBL16568167 0.71 ALDH1A1 (0.45) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL14745164 0.71 KCNH2 (0.37) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL14758249 0.70 NOTUM (0.41) ALDH1A1GAAMAPTNOTUMWDR5
SCHEMBL763105 0.70 ALDH1A1 (0.55) ALDH1A1GAAHPGDMEN1MAPT

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 4 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-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 ALDH1A1 3792/4885GAA 91/4885HPGD 1279/4885

“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.