SCHEMBL1207855

SCHEMBL1207855

CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCOc1cccnc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 2/20 0.36
S1PR4 O95977 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1210237 0.88 SMN1; SMN2 (0.37) KDM4EALDH1A1MAPTHTTPOLB
SCHEMBL12880465 0.88 SMN1; SMN2 (0.37) KDM4EALDH1A1MAPTHTTPOLB
Hydrochloric Acid SCHEMBL1209788 0.87 KDM4E (0.38) KDM4EALDH1A1MAPTHTTPOLB
SCHEMBL31603634 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HTTLMNANPC1
SCHEMBL1211209 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HTTLMNANPC1
Hydrochloric Acid SCHEMBL2443276 0.79 ALDH1A1 (0.45) KDM4EATMALDH1A1HTTPOLB
SCHEMBL15345659 0.79 KDM4E (0.38) KDM4EALDH1A1HTTLMNANPC1
SCHEMBL15345759 0.79 KDM4E (0.38) KDM4EALDH1A1HTTLMNANPC1
SCHEMBL12880377 0.79 SMN1; SMN2 (0.39) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL15345607 0.78 KDM4E (0.38) KDM4EALDH1A1HTTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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
EP-2085390-A1 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-05 EP 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 KDM4E 4623/4885ATM 3401/4885ALDH1A1 1763/4885

“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.