SCHEMBL968285

SCHEMBL968285

O=[N+]([O-])c1ccc(-c2nnc(S)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.66
GAA P10253 3/20 0.66
SI P14410 3/20 0.66
MGAM2 Q2M2H8 3/20 0.66
CSNK2A2 P19784 3/20 0.56
CSNK2B P67870 3/20 0.56
CSNK2A1 P68400 3/20 0.56
APP P05067 2/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL14557099 0.81 KDM4E (0.43) MGAMGAASIMGAM2CSNK2A2
SCHEMBL967793 0.81 MGAM (0.69) MGAMGAASIMGAM2MAPT
SCHEMBL13723187 0.79 GAA (0.66) MGAMGAASIMGAM2CSNK2A2
SCHEMBL368641 0.79 MGAM (1.00) MGAMGAASIMGAM2CSNK2A2
SCHEMBL10752099 0.79 MGAM (0.66) MGAMGAASIMGAM2CSNK2A2
SCHEMBL968868 0.76 GAA (0.44) MGAMGAASIMGAM2MAPT
SCHEMBL28850576 0.76 MGAM (0.65) MGAMGAASIMGAM2CSNK2A2
SCHEMBL8044727 0.75 HSD17B10 (0.47) MGAMGAASIMGAM2MAPT
SCHEMBL8032696 0.75 MAPT (0.71) MGAMGAASIMGAM2MAPT
SCHEMBL27915214 0.74 GAA (0.63) MGAMGAASIMGAM2CSNK2A2

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 4 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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US 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.