SCHEMBL3221801

SCHEMBL3221801

C=CCN(C(=O)OC(C)(C)C)c1cccnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
GSTO1 P78417 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATR Q13535 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
F2 P00734 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL15466723 0.85 SSTR4 (0.35) POLBGSTO1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL28038900 0.78 CYP3A4 (0.43) GSTO1L3MBTL1LMNASMN1; SMN2TSHR
SCHEMBL3219458 0.78 GPBAR1 (0.34) GSTO1L3MBTL1TSHRF2ALDH1A1
SCHEMBL3229659 0.78 RAB9A (0.32) GSTO1L3MBTL1TSHRF2ALDH1A1
SCHEMBL18255941 0.78 POLB (0.46) POLBTDP1ATRL3MBTL1LMNA
SCHEMBL23217979 0.77 ALDH1A1 (0.40) POLBGSTO1L3MBTL1LMNAKDM4E
SCHEMBL29009658 0.77 L3MBTL1 (0.38) GSTO1L3MBTL1KDM4ESMN1; SMN2TSHR
SCHEMBL2691583 0.76 GRM5 (0.39) POLBALDH1A1HTT
SCHEMBL6205322 0.75 TSHR (0.34) GSTO1L3MBTL1TSHR
SCHEMBL28859253 0.74 L3MBTL1 (0.36) POLBGSTO1TDP1L3MBTL1KDM4E

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
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
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 POLB 896/4885GSTO1 4333/4885TDP1 1722/4885

“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.