SCHEMBL1210091

SCHEMBL1210091

COC(=O)c1cc(I)ccc1NC=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 4/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL23293661 0.83 ALDH1A1 (0.75) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL29426248 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL17025484 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL2173458 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL31690913 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL30905509 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL30905503 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL17025436 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL29923588 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL27167381 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10CASP1CASP7

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-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
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
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 1763/4885KDM4E 4623/4885HSD17B10 972/4885

“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.