SCHEMBL1365962

SCHEMBL1365962

O=C(NC1CN(C(=O)O)CC1O)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.41
MAP4K4 O95819 5/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
GRM5 P41594 4/20 0.39
HTR7 P34969 1/20 0.38
RIPK1 Q13546 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL1366923 0.89 RIPK1 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1542844 0.89 HPGDS (0.55) HPGDSMAP4K4DRD2DRD4GRM5
SCHEMBL1365108 0.87 MAP4K4 (0.50) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1364921 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1364924 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL4085534 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1364922 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1365941 0.85 USP30 (0.52) HPGDS
SCHEMBL12142190 0.85 USP30 (0.52) HPGDS
SCHEMBL1365943 0.85 USP30 (0.52) HPGDS

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
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885MAP4K4 2071/4885HDAC3 318/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885MAP4K4 2071/4885HDAC3 318/4885

“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.