SCHEMBL4852019

SCHEMBL4852019

NC(=O)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
TDP1 Q9NUW8 4/20 0.76
SLC6A2 P23975 1/20 0.76
SLC6A3 Q01959 1/20 0.76
LMNA P02545 3/20 0.74
PARP10 Q53GL7 2/20 0.65
ALDH1A1 P00352 4/20 0.64
MAPT P10636 4/20 0.64
HPGD P15428 1/20 0.64
PLA2G10 O15496 1/20 0.59
PLA2G2A P14555 1/20 0.59
MEN1 O00255 1/20 0.59
PRKCZ Q05513 1/20 0.59
RAB9A P51151 3/20 0.57
GAA P10253 1/20 0.57
PARP1 P09874 2/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54

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
SCHEMBL312287 0.91 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.87 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.87 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.87 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8173802 0.86 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1009228 0.86 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL419555 0.85 KMT2A (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL27578 0.85 LMNA (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9537786 0.85 KMT2A (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL28370886 0.85 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021183762-A1 IMMUNOMODULATING O-HET-ARYL AZALIDES ZOETIS SERVICES LLC (US) 2021-09-16 WO disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 US disclosed
CN-1441637-A Compositions for repelling crawling insects BAYER AG (DE) 2003-09-10 CN disclosed
CN-1361767-A 1,4,5, 6-tetrahydropyrimidine derivatives as vitronectin inhibitors AVENTIS PHARMA GMBH (DE) 2002-07-31 CN disclosed
EP-0562824-B1 Thermal recording material FUJI PHOTO FILM CO LTD (JP) 1997-06-11 EP disclosed
US-5464804-A Heat sensitive color layer with electron donor, colorless dye is black color aminofluoran, amino compound and isocyanate compound FUJI PHOTO FILM CO., LTD. (JP) 1995-11-07 US disclosed
US-5288688-A Comprising electron-donating colorless dye, isocyanate and amino compounds; antifogging, discoloration inhibition, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1994-02-22 US disclosed
EP-0562824-A2 Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1993-09-29 EP 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 KMT2A 3544/4885TDP1 2299/4885SLC6A2 363/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR KMT2A 2523/4885TDP1 4582/4885SLC6A2 883/4885

“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.