SCHEMBL7613754

SCHEMBL7613754

O=C(OO)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
ALDH1A1 P00352 5/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSPB1 P04792 3/20 0.45
CES2 O00748 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TXNRD1 Q16881 1/20 0.43

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
SCHEMBL30179515 0.86 CES2 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL11169142 0.86 CES2 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL31514652 0.83 GPR35 (0.62) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL45190 0.82 ALDH1A1 (0.62) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL14114749 0.81 SMN1; SMN2 (0.61) ALDH1A1HPGDMAPK1SMN1; SMN2KMT2A
SCHEMBL130412 0.80 DTYMK (0.64) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL2243892 0.79 GPR35 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL13010942 0.79 GPR35 (0.56) GPR35ALDH1A1TP53HPGDTSHR
Lithium Ion SCHEMBL29084333 0.79 GPR35 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL29204387 0.79 ALDH1A1 (0.51) GPR35ALDH1A1TP53MAPK1SMN1; SMN2

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
US-6441189-B1 WHICH REDUCES RACEMIZATION; (4R)-4-(HYDROXYMETHYL)-1,3-OXAZOLIDIN-2-ONE BY REDUCTION AND BASIFICATION OF THE CORRESPONDING 4-PROTECTED CARBOXY ESTER ABBOTT LABORATORIES 2002-08-27 US disclosed
US-20020052511-A1 Process for the preparation of matrix metalloproteinase inhibitors BAILEY ANNE E (US) 2002-05-02 US disclosed
US-20020019539-A1 Process for the preparation of matrix metalloproteinase inhibitors ABBOTT LABORATORIES 2002-02-14 US disclosed
WO-2001074792-A2 PROCESS FOR THE PREPARATION OF MATRIX METALLOPROTEINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-10-11 WO disclosed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN 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-20020052511-A1 Process for the preparation of matrix metalloproteinase inhibitors MMP9, TIMP3, MMP2 GPR35 4879/4885ALDH1A1 1359/4885TP53 3456/4885
US-20020019539-A1 Process for the preparation of matrix metalloproteinase inhibitors MMP9, TIMP3, MMP2 GPR35 4879/4885ALDH1A1 1359/4885TP53 3456/4885

“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.