SCHEMBL969071

SCHEMBL969071

Nc1ccc(-c2nnc(S)s2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
PIK3CD O00329 3/20 0.43
MAP4K4 O95819 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MGAM O43451 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
LMNA P02545 1/20 0.37
NOTUM Q6P988 1/20 0.37
LTA4H P09960 1/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL17110988 0.81 KDM4E (0.56) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4019515 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL8042639 0.79 PIK3CD (0.43) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL14557099 0.78 KDM4E (0.43) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL17225703 0.75 KDM4E (0.45) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL12369750 0.75 RAB9A (0.44) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL970590 0.73 MEN1 (0.46) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL12395935 0.72 RAB9A (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL19143492 0.72 RAB9A (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL19336849 0.71 RAB9A (0.41) NPC1RAB9AMEN1KMT2AGAA

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-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 NPC1 50/4885RAB9A 377/4885MEN1 299/4885

“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.