SCHEMBL3219458

SCHEMBL3219458

C=CCN(C(=O)OC(C)(C)C)c1cnccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.34
RAB9A P51151 1/20 0.32
F2 P00734 3/20 0.32
AAK1 Q2M2I8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSTO1 P78417 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NAMPT P43490 1/20 0.31
BCL2A1 Q16548 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL3229659 0.90 RAB9A (0.32) GPBAR1RAB9AF2AAK1L3MBTL1
SCHEMBL3846164 0.78 L3MBTL1 (0.31) L3MBTL1BCL2A1TSHR
SCHEMBL3221801 0.78 POLB (0.40) F2L3MBTL1GSTO1ALDH1A1TSHR
SCHEMBL2691583 0.76 GRM5 (0.39) RAB9AALDH1A1NAMPT
SCHEMBL14830797 0.73 ALDH1A1 (0.38) L3MBTL1ALDH1A1TSHR
SCHEMBL15466723 0.73 SSTR4 (0.35) F2L3MBTL1GSTO1ALDH1A1TSHR
SCHEMBL28038900 0.73 CYP3A4 (0.43) L3MBTL1GSTO1ALDH1A1TSHR
SCHEMBL10278946 0.72 GRM5 (0.39) RAB9AF2ALDH1A1NAMPTTSHR
SCHEMBL23217979 0.72 ALDH1A1 (0.40) RAB9AL3MBTL1GSTO1ALDH1A1TSHR
SCHEMBL29009658 0.72 L3MBTL1 (0.38) RAB9AL3MBTL1GSTO1ALDH1A1BCL2A1

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 GPBAR1 275/4885RAB9A 2033/4885F2 268/4885

“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.