SCHEMBL13399604

SCHEMBL13399604

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.76
AKR1C1 Q04828 2/20 0.76
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 3/20 0.58
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
NPY1R P25929 1/20 0.55
MC4R P32245 1/20 0.55
NPY2R P49146 1/20 0.55
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
HCAR3 P49019 1/20 0.51
KCNK2 O95069 1/20 0.51
KCNK10 P57789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL4096497 0.87 ALDH1A1 (0.61) AKR1C2AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL13401489 0.84 ALDH1A1 (0.72) AKR1C2AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL1308635 0.84 AKR1C2 (0.65) AKR1C2AKR1C1MEN1KMT2AKDM4E
SCHEMBL6353682 0.83 AKR1C2 (0.71) AKR1C2AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL5950280 0.83 MEN1 (0.62) AKR1C2AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL6359133 0.81 AKR1C2 (0.68) AKR1C2AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL1455196 0.80 KMT2A (0.73) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17166275 0.79 AKR1C2 (0.73) AKR1C2AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL3619864 0.79 MAPT (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6352508 0.79 AKR1C2 (0.70) AKR1C2AKR1C1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-B1 Phosphate transport inhibitors GENZYME CORP (US) 2010-04-21 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US 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-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 AKR1C2 257/4885AKR1C1 239/4885ALDH1A1 2163/4885

“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.