SCHEMBL2441807

SCHEMBL2441807

COC(=O)c1cccc2cc3cccc(I)c3nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ATM Q13315 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
PSMD14 O00487 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TOP2A P11388 2/20 0.40
RIPK1 Q13546 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL2443272 0.83 KDM4E (0.50) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL2444774 0.80 GAA (0.47) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL2442682 0.80 KDM4E (0.47) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL7030506 0.80 KDM4E (0.56) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL7568945 0.78 PARP1 (0.43) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL28459113 0.76 TSHR (0.47) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL7570787 0.74 ABCG2 (0.49) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL13740437 0.73 PARP1 (0.66) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL31429914 0.73 KDM4E (0.48) KDM4EATMGAAKMT2ASLC6A2
SCHEMBL30002640 0.73 PARP1 (0.66) KDM4EATMGAAKMT2ASLC6A2

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-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
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 KDM4E 3466/4885ATM 2911/4885GAA 2640/4885

“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.