SCHEMBL1839375

SCHEMBL1839375

O=[N+]([O-])c1c(F)c(Br)cc(-c2ncccc2F)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.36
▸ MAPT P10636 7/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GABRG2 P18507 4/20 0.33
▸ GABRB3 P28472 4/20 0.33
▸ GABRA5 P31644 4/20 0.33

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
SCHEMBL1841295 0.86 NPY1R (0.40) NPY1RMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL1282804 0.81 MAPT (0.37) NPY1RMAPTL3MBTL1POLBKDM4E
SCHEMBL1840097 0.79 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1841123 0.77 TRPV1 (0.36) NPY1RMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL1838205 0.71 MAPT (0.38) NPY1RMAPTALDH1A1L3MBTL1POLB
SCHEMBL14538438 0.70 MAPT (0.41) NPY1RMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL2650831 0.70 MAPT (0.57) MAPTTDP1ALDH1A1L3MBTL1IDO1
SCHEMBL1283030 0.69 CTSB (0.40) NPY1RMAPTL3MBTL1KDM4EMEN1
SCHEMBL17243949 0.67 MAPT (0.34) NPY1RMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL6141212 0.65 MAPT (0.37) MAPTTDP1ALDH1A1PKMMAPK1

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 NPY1R 3753/4885MAPT 2456/4885TDP1 268/4885

“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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