SCHEMBL1210328

SCHEMBL1210328

COC(=O)c1cc(=O)c2cc(I)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 6/20 0.52
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 4/20 0.52
GLA P06280 3/20 0.50
GAA P10253 3/20 0.50
CYP1A2 P05177 2/20 0.47
NGFR P08138 1/20 0.46
XDH P47989 2/20 0.43
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL19211167 0.84 KDM4E (0.57) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL13234526 0.82 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL1503904 0.82 HPGD (0.56) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL17205044 0.82 HPGD (0.56) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL4620780 0.82 KEAP1 (0.56) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL11617401 0.82 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL9452339 0.81 NGFR (0.67) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL27383792 0.80 XDH (0.59) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL31243255 0.80 KDM4E (0.66) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL57291 0.80 KDM4E (0.66) ALDH1A1HPGDKDM4EHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 US disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 US disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 US disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 US disclosed
EP-2252605-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2010-11-24 EP disclosed
WO-2009095872-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-06 WO disclosed
WO-2009095872-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-06 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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 ALDH1A1 1763/4885HPGD 3011/4885KDM4E 4623/4885

“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.