SCHEMBL12748809

SCHEMBL12748809

CN1C(=O)c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c(c2c37)C1=O)c64)C(=O)N(C)C5=O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12869405 0.93 CASP3 (0.31) MAPT
SCHEMBL14946823 0.90
SCHEMBL3621290 0.79 TNF (0.34) NPC1ALDH1A1LMNATP53POLB
SCHEMBL12748825 0.77 MEN1 (0.31) MAPK1RAB9A
SCHEMBL12748815 0.76 F2 (0.37) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL9290381 0.76 NPC1 (0.32) NPC1ALDH1A1LMNATP53POLB
SCHEMBL12869401 0.74 ALDH1A1 (0.34) ALDH1A1POLBMAPTMAPK1
SCHEMBL12748800 0.73 ANPEP (0.33)
SCHEMBL14946828 0.70
SCHEMBL9142945 0.70 CGAS (0.31)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181172-B1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2016-02-24 EP disclosed
US-20140155603-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2014-06-05 US disclosed
US-20140155603-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2014-06-05 US disclosed
US-8674104-B2 Halogen-containing perylenetetracarboxylic acid derivatives and the use thereof BASF SE (DE) 2014-03-18 US disclosed
US-8674104-B2 Halogen-containing perylenetetracarboxylic acid derivatives and the use thereof BASF SE (DE) 2014-03-18 US disclosed
US-20130123495-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF CLAP CO., LTD. (KR) 2013-05-16 US disclosed
US-20130123495-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF CLAP CO., LTD. (KR) 2013-05-16 US disclosed
US-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2011-03-24 US disclosed
US-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2011-03-24 US disclosed
WO-2009024512-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2009-02-26 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-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF NR0B1, NR0B2, RXRB NPC1 2188/4885ALDH1A1 1289/4885LMNA 2514/4885

“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.