SCHEMBL3815439

SCHEMBL3815439

NCCc1ccccc1NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.44
HMGB1 P09429 1/20 0.44
HTR2A P28223 1/20 0.42
CXCL8 P10145 2/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 1/20 0.39
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL27551104 0.86 PARP1 (0.43) CXCL8PARP1KDM4EAGTR1RAB9A
SCHEMBL26927426 0.83 ALDH1A1 (0.44) CXCL8PARP1KDM4EAGTR1RAB9A
SCHEMBL15015520 0.80 HPGD (0.53) CXCL8PARP1KDM4EAGTR1RAB9A
SCHEMBL15015538 0.80 CXCL8 (0.57) CXCL8KDM4E
SCHEMBL667734 0.80 ALDH1A1 (0.55) KDM4ERAB9AALDH1A1HTTGAA
SCHEMBL3342778 0.80 SCD (0.46) ALDH1A1HTT
SCHEMBL5692314 0.79 PARP1 (0.51) CXCL8PARP1KDM4EAGTR1RAB9A
SCHEMBL9445951 0.79 ALDH1A1 (0.39) CXCL8PARP1KDM4EAGTR1RAB9A
SCHEMBL7365033 0.79 CYSLTR2 (0.48)
SCHEMBL3982109 0.78 CYSLTR2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470114-B1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2009-08-19 EP disclosed
US-7022851-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-04-04 US disclosed
EP-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 EP disclosed
US-20030195332-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-10-16 US disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 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-20030195332-A1 PNA monomer and precursor RNGTT, NGLY1, NCL TAAR1 755/4885HMGB1 1665/4885HTR2A 4630/4885

“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.