SCHEMBL2445797

SCHEMBL2445797

O=C(O)c1cc(I)cc2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.67
ABCB1 P08183 1/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GLA P06280 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MPL P40238 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 3/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2444383 0.84 PIM1 (0.51) PBRM1ABCB1KDM4EALDH1A1HPGD
SCHEMBL29801740 0.80 PBRM1 (1.00) PBRM1ABCB1KDM4EGAAALDH1A1
SCHEMBL4943278 0.80 PBRM1 (1.00) PBRM1ABCB1KDM4EGAAALDH1A1
SCHEMBL8789758 0.80 PBRM1 (0.62) PBRM1ABCB1KDM4EGAAALDH1A1
SCHEMBL2440948 0.79 PBRM1 (0.69) PBRM1KDM4EGAAMPLTDP1
SCHEMBL13425992 0.78 ABCB1 (0.72) PBRM1ABCB1KDM4EGAAALDH1A1
SCHEMBL2444365 0.76 PBRM1 (0.69) PBRM1KDM4EMPLTDP1POLB
SCHEMBL13456072 0.75 ABCB1 (0.49) PBRM1ABCB1KDM4EGAAALDH1A1
SCHEMBL2447367 0.75 EGFR (0.53) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL12330686 0.74 PBRM1 (0.62) PBRM1ABCB1KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
EP-2363399-A1 Labelled analogues of halobenzamides as radiopharmaceuticals INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-09-07 EP disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
EP-2046789-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-04-15 EP disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 PBRM1 287/4885ABCB1 1402/4885KDM4E 3466/4885

“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.