SCHEMBL969142

SCHEMBL969142

Nc1nnc(-c2nnc(S)s2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
ALDH1A1 P00352 9/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
MGAM O43451 4/20 0.42
GAA P10253 4/20 0.42
SI P14410 4/20 0.42
MGAM2 Q2M2H8 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
NOTUM Q6P988 1/20 0.42
EPHX2 P34913 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CSNK2A2 P19784 1/20 0.37

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
SCHEMBL1685227 0.84 FBP1 (0.43) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL94066 0.84
SCHEMBL6003588 0.84 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL28003423 0.81
SCHEMBL21645232 0.81
SCHEMBL6542229 0.81
SCHEMBL28392308 0.81 FBP1 (0.42) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL28409125 0.81 FBP1 (0.42) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL28396937 0.81 FBP1 (0.42) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL28888404 0.79 FBP1 (0.40) KDM4EALDH1A1HSD17B10HPGDGAA

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 KDM4E 3077/4885ALDH1A1 2976/4885HSD17B10 1147/4885

“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.