SCHEMBL4096497

SCHEMBL4096497

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 3/20 0.60
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
NPY1R P25929 1/20 0.56
MC4R P32245 1/20 0.56
NPY2R P49146 1/20 0.56
LMNA P02545 2/20 0.55
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
HCAR3 P49019 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
VCAM1 P19320 1/20 0.51
ALPL P05186 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
SCHEMBL13399604 0.87 AKR1C2 (0.76) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4094593 0.86 MEN1 (0.61) ALDH1A1MEN1KMT2AMAPTAKR1C2
SCHEMBL13401489 0.85 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20975495 0.83 TSHR (0.57) ALDH1A1MEN1KMT2AMAPTAKR1C2
SCHEMBL3619864 0.80 MAPT (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4100149 0.80 CA12 (0.57) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL14075219 0.80 RORC (0.62) ALDH1A1MEN1KMT2AMAPTAKR1C2
SCHEMBL8306313 0.76 AKR1C2 (0.65) ALDH1A1MEN1KMT2AMAPTAKR1C2
SCHEMBL1455286 0.76 KMT2A (0.90) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6349527 0.75 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AAKR1C2AKR1C1

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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
EP-1758571-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115374-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM PHARMA A/S (DK) 2005-12-08 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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 ALDH1A1 787/4885MEN1 2859/4885KMT2A 2570/4885

“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.