SCHEMBL3218015

SCHEMBL3218015

Nn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
CYP19A1 P11511 1/20 0.44
GLS O94925 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
CDC7 O00311 1/20 0.43
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
NOS1 P29475 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3224421 1.00 SLC6A2 (0.51) SLC6A2CYP19A1GLSTDP1CDC7
SCHEMBL1098394 0.79 CYP19A1 (0.51) SLC6A2CYP19A1GLSTDP1ALDH1A1
SCHEMBL28281973 0.79 SLC6A2 (0.51) SLC6A2CYP19A1GLSTDP1CDC7
SCHEMBL28142780 0.79 SLC6A2 (0.51) SLC6A2CYP19A1GLSTDP1CDC7
SCHEMBL28030880 0.79 SLC6A2 (0.51) SLC6A2CYP19A1GLSTDP1CDC7
SCHEMBL257518 0.76 SLC6A2 (0.49) SLC6A2CYP19A1GLSCDC7ALDH1A1
SCHEMBL28910295 0.76 SLC6A2 (0.49) SLC6A2CYP19A1GLSTDP1CDC7
SCHEMBL2420811 0.75 CYP1A2 (0.53) SLC6A2CYP19A1GLSPLGPLAU
SCHEMBL1465648 0.75 SLC6A2 (0.48) SLC6A2CYP19A1GLSTDP1PLG
SCHEMBL13619922 0.75 SLC6A2 (0.51) SLC6A2CYP19A1GLSTDP1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
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 SLC6A2 4643/4885CYP19A1 946/4885GLS 1623/4885

“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.