SCHEMBL966960

SCHEMBL966960

Nc1ccc(-c2nnc(S)s2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
TLR9 Q9NR96 1/20 0.36
PKM P14618 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
SCHEMBL968868 0.84 GAA (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL970105 0.83 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL968154 0.83 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12947880 0.83 ALDH1A1 (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14079877 0.80 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12920048 0.80 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL968446 0.79 MGAM (0.68) MGAMGAASIMGAM2ALDH1A1
SCHEMBL153657 0.76 ALDH1A1 (0.69) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL969635 0.75 TSHR (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL971661 0.74 TDP1 (0.46) MGAMGAASIMGAM2ALDH1A1

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 MGAM 1179/4885GAA 3927/4885SI 3173/4885

“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.