SCHEMBL969945

SCHEMBL969945

Nc1cc(N)cc(-c2nnc(S)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 8/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
SNCA P37840 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
SCHEMBL14557095 0.84 SNCA (0.37) ALDH1A1SMN1; SMN2LMNAPTGS1PTGS2
SCHEMBL11025151 0.81 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL14557099 0.75 KDM4E (0.43) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL970590 0.75 MEN1 (0.46) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8050989 0.71 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAPTGS2KDM4E
SCHEMBL8044533 0.71 IKBKB (0.36) ALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL8046027 0.71 CYP1A1 (0.46) ALDH1A1SMN1; SMN2PTGS1PTGS2KDM4E
SCHEMBL969040 0.70 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAKDM4EMGAM
SCHEMBL969071 0.69 NPC1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL969142 0.69 KDM4E (0.43) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD

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 PIK3CA 4770/4885PIK3C3 4829/4885ALDH1A1 2976/4885

“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.