SCHEMBL970105

SCHEMBL970105

O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(S)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
MAPK1 P28482 4/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
VCAM1 P19320 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD11B1 P28845 1/20 0.40

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) MGAMGAASIMGAM2MAPK1
SCHEMBL11332688 0.83 MGAM (0.65) MGAMGAASIMGAM2MAPK1
SCHEMBL968154 0.83 MGAM (0.43) MGAMGAASIMGAM2MAPT
SCHEMBL966960 0.83 MGAM (0.50) MGAMGAASIMGAM2MAPK1
SCHEMBL4413829 0.80 MGAM (0.41) MGAMGAASIMGAM2MAPK1
SCHEMBL968446 0.79 MGAM (0.68) MGAMGAASIMGAM2MAPT
SCHEMBL8044727 0.77 HSD17B10 (0.47) MGAMGAASIMGAM2RAB9A
SCHEMBL8045944 0.77 ALDH1A1 (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL29678599 0.77 ALDH1A1 (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL6125034 0.76 MAPK1 (0.63) MAPK1TSHRRAB9AHPGDMAPT

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.