SCHEMBL2569892

SCHEMBL2569892

O=C(NCCNO)c1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
P2RX7 Q99572 4/20 0.55
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
PKM P14618 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
GPR139 Q6DWJ6 1/20 0.49
JAK2 O60674 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6292862 0.85 TMEM97 (0.58) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL6292861 0.85 P2RX7 (0.57) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL5529489 0.83 HPGD (0.62) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL9491955 0.81 TAS1R3 (0.57) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL6947954 0.81 TMEM97 (0.53) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL28358650 0.80 LMNA (0.53) TMEM97SIGMAR1P2RX7NPC1HPGD
SCHEMBL2565969 0.80 HPGD (0.55) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL11570780 0.79 TAS1R3 (0.55) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL4158170 0.79 TAS1R3 (0.64) TMEM97SIGMAR1P2RX7TAS1R3TAS1R1
SCHEMBL27885983 0.78 TSHR (0.61) P2RX7TAS1R3TAS1R1TAS1R2NPC1

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-1399416-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-02 EP disclosed
EP-1399416-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-12-28 EP disclosed
US-6852882-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-02-08 US disclosed
US-20040157916-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-08-12 US disclosed
EP-1399416-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-24 EP disclosed
WO-2002098901-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040157916-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 TMEM97 1390/4885SIGMAR1 1366/4885P2RX7 3139/4885

“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.