SCHEMBL2559902

SCHEMBL2559902

O=C(NCCNO)c1cc(Cl)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
HPGD P15428 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
P2RX7 Q99572 1/20 0.52
CDK1 P06493 1/20 0.51
NPC1 O15118 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TP53 P04637 1/20 0.50
GPR139 Q6DWJ6 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL2566261 0.84 HPGD (0.69) ALDH1A1HPGDCYP1A2KMT2APOLB
SCHEMBL2568150 0.80 POLB (0.46) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL2565454 0.80 HPGD (0.74) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL11315908 0.79 HPGD (0.69) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL7218397 0.79 LMNA (0.67) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
Ammonia Solution, Strong SCHEMBL27375088 0.78 LMNA (0.65) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8002583 0.78 ALDH1A1 (0.64) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL5339722 0.77 NPC1 (0.67) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL1127910 0.77 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8001466 0.77 ALDH1A1 (0.67) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19

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 ALDH1A1 4302/4885HPGD 2537/4885CYP1A2 4681/4885

“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.