SCHEMBL1498804

SCHEMBL1498804

NC(=O)CN(CC(=O)O)CC(=O)O.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
EYA2 O00167 1/20 0.52
APP P05067 1/20 0.52
ACE P12821 1/20 0.52
BLM P54132 3/20 0.50
PMP22 Q01453 3/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 3/20 0.50
CYP2C19 P33261 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL3940285 0.97 TDP1 (0.55) TDP1EYA2APPACEBLM
SCHEMBL233033 0.97 TDP1 (0.55) TDP1EYA2APPACEBLM
SCHEMBL12798538 0.86 TDP1 (0.74) TDP1EYA2APPACEBLM
SCHEMBL20906342 0.86 TDP1 (0.74) TDP1EYA2APPACEBLM
SCHEMBL9157962 0.86 TDP1 (0.74) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL27683262 0.85 TDP1 (0.61) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL157958 0.85 TDP1 (0.69) TDP1EYA2APPACEBLM
SCHEMBL3749558 0.85 TDP1 (0.41) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL9064058 0.85 TDP1 (0.69) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL156670 0.85 TDP1 (0.69) TDP1EYA2APPACEBLM

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473480-B1 NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND FAB PHARMA SAS (FR) 2016-06-01 EP disclosed
US-9321769-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2016-04-26 US disclosed
US-9272985-B2 Antibacterial hydroxyphenyl compound FAB PHARMA S.A.S. (FR) 2016-03-01 US disclosed
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2015-08-20 US disclosed
US-9051321-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2015-06-09 US disclosed
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2014-12-04 US disclosed
US-8846711-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-09-30 US disclosed
EP-2501693-B1 AZA HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS BACTERICIDES FAB PHARMA SAS (FR) 2014-09-17 EP disclosed
EP-2491021-B1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2014-04-23 EP disclosed
US-8623865-B2 Acylpiperazinones and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-01-07 US disclosed
EP-2501693-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB Pharma SAS (FR) 2012-09-26 EP disclosed
US-20120232155-A1 NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND FAB PHARMA S.A.S. (FR) 2012-09-13 US disclosed
US-20120232079-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2012-09-13 US disclosed
EP-2491021-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB Pharma SAS (FR) 2012-08-29 EP disclosed
EP-2473480-A1 NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND FAB Pharma SAS (FR) 2012-07-11 EP disclosed
US-20120148517-A1 Hair Relaxing and Straightening Compositions INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 US disclosed
WO-2012078658-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 WO disclosed
WO-2011061214-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-05-26 WO disclosed
WO-2011048153-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-04-28 WO disclosed
WO-2011026529-A1 NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND FAB PHARMA SAS (FR) 2011-03-10 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 (5 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-20120148517-A1 Hair Relaxing and Straightening Compositions PDE6G, SHH, DNMT3L TDP1 649/4885EYA2 2264/4885APP 2825/4885
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS TDP1 1066/4885EYA2 1311/4885APP 670/4885
US-20120232079-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS AGPAT5, GNPAT, AADAC TDP1 4744/4885EYA2 2262/4885APP 2591/4885
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS TDP1 1066/4885EYA2 1311/4885APP 670/4885
US-20120232155-A1 NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND MRPL21, VIP, DHPS TDP1 4620/4885EYA2 2763/4885APP 2247/4885

“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.