SCHEMBL969098

SCHEMBL969098

c1c[nH]c(-c2nncs2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.39
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 3/20 0.34
KDM4E B2RXH2 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
SMPD3 Q9NY59 1/20 0.32
FBP1 P09467 1/20 0.31
CSNK1A1 P48729 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
SCHEMBL63377 0.71 METAP1 (0.43) NISCHMTORADKALDH1A1MEN1
SCHEMBL81650 0.69 NISCH (0.59) NISCHMTORADKALDH1A1MEN1
Hydrochloric Acid SCHEMBL1536214 0.67 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL28425230 0.67 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL969097 0.67 NISCH (0.38) NISCHMTORADKALDH1A1MEN1
SCHEMBL27905839 0.67 SCN9A (0.48) NISCHMTORADKALDH1A1MEN1
SCHEMBL9900117 0.67 NISCH (0.38) NISCHMTORADKALDH1A1MEN1
SCHEMBL13977589 0.66 NISCH (0.50) NISCHMTORADKALDH1A1MEN1
SCHEMBL6897351 0.66 CYP19A1 (0.37) KDM4EFBP1CYP1A2CYP19A1
SCHEMBL30641564 0.65 PDE10A (0.46) NISCHMTORADKALDH1A1MEN1

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
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US claimed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US claimed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP claimed
CN-102250081-A Imidazolidinyl- or thiazolidinyl-containing 1,3,4-thiadiazole compounds and preparation method thereof UNIV DALIAN TECH 2011-11-23 CN disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 NISCH 25/4885MTOR 1187/4885ADK 4745/4885

“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.