SCHEMBL413313

SCHEMBL413313

O=C(CP(=O)(O)O)NCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
HDAC2 Q92769 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
FAAH O00519 1/20 0.50
HDAC1 Q13547 1/20 0.50
CNR2 P34972 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
FDFT1 P37268 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL15970722 0.82 CA12 (0.65) L3MBTL1GAAHPGDHDAC2NPC1
SCHEMBL10106175 0.81 L3MBTL1 (0.61) L3MBTL1GAAHPGDHDAC2HDAC1
SCHEMBL10106240 0.77 FDFT1 (0.80) FDFT1
SCHEMBL417473 0.76 FDFT1 (0.79) FDFT1
Potassium SCHEMBL417475 0.76 FDFT1 (0.79) FDFT1
SCHEMBL10119540 0.75 L3MBTL1 (0.54) L3MBTL1GAAHPGDHDAC2HDAC1
SCHEMBL24372481 0.75 S1PR2 (0.57) HDAC2HDAC1FDFT1
SCHEMBL24493466 0.74 L3MBTL1 (0.60) L3MBTL1GAAHPGDNPC1RAB9A
SCHEMBL9414561 0.73 S1PR2 (0.59) HDAC2HDAC1FDFT1
SCHEMBL9781651 0.72 KMT2A (0.50) L3MBTL1GAAHPGDHDAC2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP L3MBTL1 897/4885GAA 1378/4885HPGD 3631/4885

“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.