SCHEMBL2179447

SCHEMBL2179447

CN(C(=O)S)c1nc2c(F)c(Br)cc(-c3ccccn3)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 3/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 6/20 0.37
▸ HPGD P15428 3/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CA12 O43570 5/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA5A P35218 5/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ CA5B Q9Y2D0 5/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BAZ2B Q9UIF8 1/20 0.34
▸ BAZ2A Q9UIF9 1/20 0.34

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
SCHEMBL2180653 0.85 GPBAR1 (0.36) —
SCHEMBL1841780 0.81 GRM1 (0.41) GRM1KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1842244 0.78 DYRK1A (0.41) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL2179449 0.76 MAPT (0.39) GRM1KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL1283081 0.76 PIK3CD (0.41) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL1707976 0.75 ADORA2A (0.51) GRM1KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL1841858 0.75 IKBKB (0.36) KDM4ESMN1; SMN2ALDH1A1HPGDCA12
SCHEMBL1708351 0.75 NPC1 (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1HTT
SCHEMBL1841862 0.72 HTT (0.36) GRM1KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL1841861 0.71 SQOR (0.32) KDM4EALDH1A1HPGDRAB9AIKBKB

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 1 patent. 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

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 GRM1 2966/4885KDM4E 315/4885SMN1; SMN2 4463/4885

“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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