SCHEMBL3222629

SCHEMBL3222629

O=C(Nn1cc(S(=O)(=O)Cl)c2cc(F)ccc21)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.43
GRM5 P41594 2/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNQ5 Q9NR82 1/20 0.35
KAT6A Q92794 2/20 0.35
WNT3A P56704 1/20 0.35
SCN9A Q15858 2/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
GRIN2B Q13224 2/20 0.33
ASH1L Q9NR48 1/20 0.33
SCN2B O60939 1/20 0.33
SCN1A P35498 1/20 0.33
SCN1B Q07699 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL3213078 0.90 HPGDS (0.43) HPGDSGRM5KAT6AWNT3AASH1L
SCHEMBL12083557 0.89 HPGDS (0.46) HPGDSGRM5HDAC1HDAC6KAT6A
SCHEMBL3210328 0.88 HPGDS (0.44) HPGDSGRM5HDAC1HDAC6WNT3A
SCHEMBL3226638 0.86 HPGDS (0.58) HPGDSGRM5WNT3ASCN9ASCN2B
SCHEMBL3213155 0.84 ALDH1A1 (0.45) HPGDS
SCHEMBL12083571 0.84 HPGDS (0.58) HPGDSHDAC1HDAC6WNT3ASCN9A
SCHEMBL3213916 0.80 HPGDS (0.43) HPGDSHDAC1HDAC6WNT3AHDAC3
SCHEMBL3220417 0.79 HPGDS (0.41) HPGDS
SCHEMBL3226414 0.78 HPGDS (0.59) HPGDSGRM5WNT3ASCN9ASCN2B
SCHEMBL12083725 0.77 HPGDS (0.61) HPGDSGRM5WNT3ASCN9ASCN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885GRM5 932/4885HDAC1 325/4885

“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.