SCHEMBL13578745

SCHEMBL13578745

O=C1NC(=O)c2c(Cl)c(Cl)c3c4c(c(Cl)cc1c24)C(=O)NC3=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPOX P50336 1/20 0.42
▸ CES1 P23141 7/20 0.40
▸ DNMT1 P26358 1/20 0.39
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CHEK1 O14757 5/20 0.35
▸ WEE1 P30291 5/20 0.35
▸ ATIC P31939 1/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ STK10 O94804 1/20 0.32
▸ SLK Q9H2G2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13578767 0.92 PPOX (0.48) PPOXCES1DNMT1MAOAMAOB
SCHEMBL13578768 0.90 PPOX (0.47) PPOXCES1DNMT1MAOAMAOB
SCHEMBL13578741 0.78 PPOX (0.37) PPOXCES1DNMT1
SCHEMBL3684157 0.78 PPOX (0.47) PPOXCES1DNMT1MAOAMAOB
SCHEMBL20212120 0.77 PPOX (0.39) PPOXCES1DNMT1MAOAMAOB
SCHEMBL10484680 0.75 CES1 (0.45) PPOXCES1DNMT1CHEK1WEE1
SCHEMBL9245568 0.73 PPOX (0.56) PPOXCES1DNMT1MAOAMAOB
SCHEMBL6796386 0.73 PPOX (0.45) PPOXCES1DNMT1MAOAMAOB
SCHEMBL12748842 0.72 PPOX (0.33) PPOXCES1DNMT1
SCHEMBL1413190 0.71 PPOX (0.58) PPOXCES1DNMT1MAOAMAOB

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-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-06-22 — — US disclosed
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-06-22 — — US disclosed
US-9512354-B2 Chlorinated naphthalenetetracarboxylic acid derivatives, preparation thereof and use thereof in organic electronics BASF SE (DE) 2016-12-06 — — US disclosed
US-9512354-B2 Chlorinated naphthalenetetracarboxylic acid derivatives, preparation thereof and use thereof in organic electronics BASF SE (DE) 2016-12-06 — — US disclosed
WO-2009147237-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2009-12-10 — — WO disclosed
US-20090301552-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2009-12-10 — — US disclosed
US-20090301552-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2009-12-10 — — US 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 (2 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-20090301552-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO4C1, SLCO2B1 PPOX 174/4885CES1 2023/4885DNMT1 2280/4885
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO2B1, SLC43A3 PPOX 267/4885CES1 1047/4885DNMT1 3104/4885

“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.

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