SCHEMBL4540523

SCHEMBL4540523

[NH]C(=O)c1ccc(C=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ ALDH5A1 P51649 1/20 0.50
▸ ABAT P80404 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.48
▸ PARP3 Q9Y6F1 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP2A6 P11509 4/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ EGFR P00533 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.39
▸ UNG P13051 1/20 0.39
▸ TRIM24 O15164 1/20 0.37
▸ TRIM33 Q9UPN9 1/20 0.37

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
SCHEMBL6852409 0.79 ALDH1A1 (0.68) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL3757660 0.79 ALDH1A1 (0.68) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL5187908 0.78 ALDH1A1 (0.52) ALDH1A1ALDH5A1ABATHSD17B10KMT2A
SCHEMBL18133156 0.77 ALDH1A1 (0.65) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL7191197 0.77 ALDH1A1 (0.58) ALDH1A1ALDH5A1ABATPARP10PARP3
Terephthalic Acid SCHEMBL11068404 0.77 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL63361 0.77 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL1664743 0.77 ALDH1A1 (0.65) ALDH1A1ALDH5A1ABATPARP10PARP3
SCHEMBL23637785 0.76 ALDH1A1 (0.64) ALDH1A1ALDH5A1ABATPARP10PARP3
Bicarbonate SCHEMBL27621047 0.75 ALDH1A1 (0.70) ALDH1A1ALDH5A1ABATPARP10PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 — — US claimed
US-20210188895-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE, AND PRODUCTION METHOD THEREFOR BONAC CORPORATION (JP) 2021-06-24 — — US disclosed
EP-3696269-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE, AND PRODUCTION METHOD THEREFOR Bonac Corporation (JP) 2020-08-19 — — EP disclosed
US-8071243-B2 Fuel cell system PANASONIC CORPORATION (JP) 2011-12-06 — — US disclosed
US-20090047555-A1 FUEL CELL SYSTEM PANASONIC CORPORATION (JP) 2009-02-19 — — US disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 — — US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 — — US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 — — US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 — — US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 — — US disclosed
US-3935182-A Water-soluble quaternary ammonium heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1976-01-27 — — 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 (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-20210188895-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE, AND PRODUCTION METHOD THEREFOR POLRMT, POLL, RNGTT ALDH1A1 1171/4885ALDH5A1 534/4885ABAT 681/4885

“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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