SCHEMBL14920940

SCHEMBL14920940

O=C(NC(CO)CO)c1cc(C(=O)NC(CO)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.48
ALOX5 P09917 1/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.46
CYP3A4 P08684 1/20 0.46
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL14934959 0.92 SMN1; SMN2 (0.44) MAPTALDH1A1RAB9AGAAALOX5
SCHEMBL8374205 0.90 ALOX5 (0.54) MAPTALDH1A1ALOX5MEN1KMT2A
SCHEMBL19311948 0.89 TSHR (0.49) MAPTALDH1A1RAB9AGAAALOX5
SCHEMBL8379789 0.87 CASR (0.51) MAPTALDH1A1RAB9AGAAALOX5
SCHEMBL8374111 0.84 CASR (0.46) MAPTALDH1A1RAB9AALOX5MEN1
SCHEMBL6864033 0.81 GAA (0.47) MAPTALDH1A1RAB9AGAAALOX5
SCHEMBL4579151 0.81 MAPT (0.47) MAPTALDH1A1RAB9AGAAALOX5
SCHEMBL28060524 0.79 ICMT (0.56) MAPTALDH1A1RAB9AALOX5MEN1
SCHEMBL3403490 0.78 NQO2 (0.40) ALDH1A1HTTHPGD
SCHEMBL31148959 0.78 SMN1; SMN2 (0.57) MAPTALDH1A1GAAALOX5MEN1

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
EP-2773610-B1 IODINATION PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED-2,4,6-TRIIODO AROMATIC AMINES COMPOUNDS IMAX DIAGNOSTIC IMAGING HOLDING LTD (CN) 2017-09-06 EP disclosed
US-9382194-B2 Iodination process for the preparation of 3, 5-disubstituted-2, 4, 6-triiodo aromatic amines compounds IMAX DIAGNOSTIC IMAGING HOLDING LIMITED (CN) 2016-07-05 US disclosed
US-9382194-B2 Iodination process for the preparation of 3, 5-disubstituted-2, 4, 6-triiodo aromatic amines compounds IMAX DIAGNOSTIC IMAGING HOLDING LIMITED (CN) 2016-07-05 US disclosed
US-20150025275-A1 Iodination Process for the Preparation of 3, 5-Disubstituted-2, 4, 6-Triiodo Aromatic Amines Compounds IMAX DIAGNOSTIC IMAGING HOLDING LIMITED (CN) 2015-01-22 US disclosed
US-20150025275-A1 Iodination Process for the Preparation of 3, 5-Disubstituted-2, 4, 6-Triiodo Aromatic Amines Compounds IMAX DIAGNOSTIC IMAGING HOLDING LIMITED (CN) 2015-01-22 US disclosed
EP-2773610-A1 IODINATION PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED-2,4,6-TRIIODO AROMATIC AMINES COMPOUNDS iMAX Diagnostic Imaging Holding Limited (CN) 2014-09-10 EP disclosed
WO-2013063737-A1 IODINATION PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED-2,4,6-TRIIODO AROMATIC AMINES COMPOUNDS HOVIONE CHINA HOLDING LIMITED (CN) 2013-05-10 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-20150025275-A1 Iodination Process for the Preparation of 3, 5-Disubstituted-2, 4, 6-Triiodo Aromatic Amines Compounds TPO, AOC2, INSR MAPT 3310/4885ALDH1A1 2858/4885RAB9A 1137/4885

“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.