SCHEMBL1595737

SCHEMBL1595737

NNc1nc(N2CCOCC2)cc(C(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.58
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL961117 0.78 CRHBP (0.65) NPSR1ATMKDM4ETSHRCYP1A2
SCHEMBL24766278 0.76 NPSR1 (0.59) NPSR1TDP1L3MBTL1ATMPIK3CA
SCHEMBL24766533 0.75 NPSR1 (0.58) NPSR1TDP1L3MBTL1ATMPIK3CA
SCHEMBL31484145 0.74 HTT (0.45) L3MBTL1ATMPIK3CAKDM4ETSHR
SCHEMBL9860730 0.74 CYP3A4 (0.46) L3MBTL1ATMKDM4ETSHRHSD17B10
SCHEMBL29976432 0.72 NPSR1 (0.55) NPSR1TDP1L3MBTL1ATMPIK3CA
SCHEMBL19805966 0.72 NPSR1 (0.55) NPSR1TDP1L3MBTL1ATMPIK3CA
SCHEMBL3811303 0.70 OGA (0.59) PIK3CATSHRHSD17B10CYP1A2CYP2C19
SCHEMBL3946417 0.69 TYK2 (0.40) NPSR1PIK3CAMTORTSHRHSD17B10
SCHEMBL12398684 0.69 MTOR (0.53) NPSR1PIK3CAMTORKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 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-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 NPSR1 3037/4885TDP1 505/4885L3MBTL1 1474/4885

“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.