SCHEMBL1845578

SCHEMBL1845578

Nc1nc2c(F)c(Br)cc(-c3ncccc3F)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GABRG2 P18507 8/20 0.35
▸ GABRB3 P28472 8/20 0.35
▸ GABRA5 P31644 8/20 0.35
▸ GABRA3 P34903 8/20 0.35
▸ GABRA1 P14867 7/20 0.35
▸ TGFBR1 P36897 3/20 0.34
▸ MAPK14 Q16539 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PADI1 Q9ULC6 1/20 0.31
▸ PADI3 Q9ULW8 1/20 0.31
▸ PADI4 Q9UM07 1/20 0.31
▸ PADI2 Q9Y2J8 1/20 0.31
▸ TDP2 O95551 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ S100A4 P26447 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL1283081 0.81 PIK3CD (0.41) ALDH1A1LMNATGFBR1MAPK14
SCHEMBL1842575 0.79 NPC1 (0.34) SMN1; SMN2ALDH1A1LMNAGABRG2GABRB3
SCHEMBL1842573 0.78 NPC1 (0.38) SMN1; SMN2ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL2180653 0.76 GPBAR1 (0.36) HCRTR1HCRTR2
SCHEMBL2180655 0.76 NPC1 (0.36) SMN1; SMN2ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL1852504 0.76 ADORA2A (0.43) SMN1; SMN2ALDH1A1LMNAADORA1
SCHEMBL1841115 0.76 MEN1 (0.33) HCRTR1HCRTR2
SCHEMBL2179043 0.75 NPC1 (0.42) SMN1; SMN2
SCHEMBL1840097 0.72 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL30755415 0.69 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNA

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 SMN1; SMN2 4463/4885ALDH1A1 2009/4885LMNA 3229/4885

“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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