SCHEMBL1840097

SCHEMBL1840097

Nc1c(F)c(Br)cc(-c2ncccc2F)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 7/20 0.36
▸ GABRB3 P28472 7/20 0.36
▸ GABRA5 P31644 7/20 0.36
▸ GABRA3 P34903 7/20 0.36
▸ GABRA1 P14867 6/20 0.36
▸ S100A4 P26447 2/20 0.34
▸ PADI1 Q9ULC6 1/20 0.34
▸ PADI3 Q9ULW8 1/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ PADI2 Q9Y2J8 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ CDC25B P30305 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL1839375 0.79 NPY1R (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1281879 0.78 TDO2 (0.39) —
SCHEMBL1841295 0.75 NPY1R (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1845578 0.72 SMN1; SMN2 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL14538438 0.69 MAPT (0.41) S100A4TDP2NSD2PAX8HKDC1
SCHEMBL30549074 0.67 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2648865 0.67 GABRA5 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2651744 0.67 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL12480391 0.67 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL30912195 0.67 CDC25B (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US disclosed
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI GABRG2 1635/4885GABRB3 946/4885GABRA5 1942/4885

“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.

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