SCHEMBL2444192

SCHEMBL2444192

COC(=O)c1cc2c(I)cccc2cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.50
GABRG2 P18507 5/20 0.50
GABRB3 P28472 5/20 0.50
GABRA5 P31644 5/20 0.50
GABRA3 P34903 5/20 0.50
GABRA2 P47869 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GABRP O00591 3/20 0.50
GABRD O14764 3/20 0.50
GABRB1 P18505 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRA4 P48169 3/20 0.50
GABRE P78334 3/20 0.50
GABRA6 Q16445 3/20 0.50
GABRG1 Q8N1C3 3/20 0.50
GABRG3 Q99928 3/20 0.50
GABRQ Q9UN88 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50

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
SCHEMBL17977202 0.88 LCK (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1872723 0.82 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2443191 0.82 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15858745 0.80 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4027042 0.78 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL214090 0.78 LCK (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29840564 0.78 LCK (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL27800514 0.76 LCK (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1202118 0.75 LCK (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6583631 0.74 ALDH1A1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 1721/4885GABRG2 2614/4885GABRB3 1357/4885

“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.