SCHEMBL968446

SCHEMBL968446

O=[N+]([O-])c1ccccc1-c1nnc(S)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.68
GAA P10253 1/20 0.68
SI P14410 1/20 0.68
MGAM2 Q2M2H8 1/20 0.68
DDX3X O00571 2/20 0.52
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.42
GUSB P08236 2/20 0.42
PTPN1 P18031 1/20 0.40
S100A4 P26447 2/20 0.39
PTPRC P08575 1/20 0.39
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.38
C1R P00736 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1206444 0.82 MGAM (0.69) MGAMGAASIMGAM2DDX3X
SCHEMBL1208099 0.81 MGAM (0.68) MGAMGAASIMGAM2DDX3X
SCHEMBL1208455 0.81 MGAM (0.68) MGAMGAASIMGAM2DDX3X
SCHEMBL1207665 0.81 MGAM (1.00) MGAMGAASIMGAM2DDX3X
SCHEMBL968868 0.80 GAA (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL969635 0.80 TSHR (0.49) MGAMGAASIMGAM2DDX3X
SCHEMBL970105 0.79 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL966960 0.79 MGAM (0.50) MGAMGAASIMGAM2DDX3X
SCHEMBL968154 0.79 MGAM (0.43) MGAMGAASIMGAM2DDX3X
SCHEMBL971661 0.79 TDP1 (0.46) MGAMGAASIMGAM2DDX3X

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
EP-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 EP disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO 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 (2 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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MGAM 3249/4885GAA 752/4885SI 1249/4885
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.