SCHEMBL4773749

SCHEMBL4773749

O=C(CCOc1ccccc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.81
HDAC1 Q13547 2/20 0.77
HDAC2 Q92769 2/20 0.77
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
TSHR P16473 1/20 0.65
RECQL P46063 1/20 0.65
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
KMT2A Q03164 2/20 0.64
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64

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
SCHEMBL15336407 0.91 HDAC1 (0.87) MMP3HDAC1HDAC2TSHRKMT2A
SCHEMBL7044763 0.90 MMP3 (1.00) MMP3HDAC1HDAC2CYP1A2CYP3A4
SCHEMBL19789098 0.89 HDAC1 (0.97) MMP3HDAC1HDAC2KMT2AHDAC3
SCHEMBL7047876 0.85 MMP3 (0.75) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL26345693 0.83 CYP1A2 (0.67) MMP3HDAC1HDAC2CYP1A2CYP3A4
SCHEMBL10588204 0.83 CYP1A2 (0.67) MMP3HDAC1HDAC2CYP1A2CYP3A4
SCHEMBL4412374 0.83 CYP1A2 (0.67) MMP3HDAC1HDAC2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7190843 0.81 CYP1A2 (0.65) MMP3HDAC1HDAC2CYP1A2CYP3A4
SCHEMBL7044856 0.81 HDAC1 (0.88) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL25365255 0.80 TSHR (0.69) MMP3HDAC1HDAC2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115605-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-10-03 US claimed
US-20040192719-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
US-20040053932-A1 Peptide deformylase inhibtors GLAXOSMITHKLINE LLC 2004-03-18 US claimed
EP-1283711-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-19 EP disclosed
US-7115605-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-10-03 US disclosed
WO-2001085170-A9 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-26 WO disclosed
US-6806369-B2 N-FORMYL-N-HYDROXY-2-(5-ISOQUINOLINOXY)ETHYLAMINE ANTI-BACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2004-10-19 US disclosed
US-20040192719-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
US-20040053932-A1 Peptide deformylase inhibtors GLAXOSMITHKLINE LLC 2004-03-18 US 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-20040053932-A1 Peptide deformylase inhibtors PDF, VIP, SPPL2B MMP3 1461/4885HDAC1 3252/4885HDAC2 3662/4885
US-20040192719-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 MMP3 1467/4885HDAC1 3488/4885HDAC2 3549/4885

“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.