SCHEMBL333810

SCHEMBL333810

O=C(O)CCc1cn(-c2cc(F)cc(F)c2)nn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
DDX3X O00571 4/20 0.46
MIF P14174 2/20 0.44
LDHA P00338 1/20 0.41
KCNH2 Q12809 2/20 0.41
ALK Q9UM73 1/20 0.41
FOLH1 Q04609 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 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
SCHEMBL15057639 0.80 NOTUM (0.63) NOTUMMIFMAOAMAOB
SCHEMBL17978514 0.77 MAOA (0.54) NOTUMDDX3XMIFLDHAMAOA
SCHEMBL71817 0.73 NOTUM (0.43) NOTUM
SCHEMBL17978617 0.72 MIF (0.49) MIFMAOAMAOB
SCHEMBL28457521 0.71 FFAR1 (0.40) MIFFOLH1
SCHEMBL13224 0.71 LDHA (0.83) NOTUMDDX3XMIFLDHAMAOA
SCHEMBL19127484 0.70 MIF (0.55) NOTUMDDX3XMIFMAOAMAOB
SCHEMBL10626243 0.69 FFAR1 (0.41) FOLH1
SCHEMBL27867407 0.69 LDHA (0.43) NOTUMDDX3XMIFLDHAMAOA
SCHEMBL14212089 0.69 FFAR1 (0.39) MIFFOLH1

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-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity SINDKHEDKAR MILIND DATTATRAYA 2009-10-01 US disclosed
EP-2056844-A2 NOVEL MACROLIDES AND KETOLIDES HAVING ANTIMICROBIAL ACTIVITY Wockhardt Research Centre (IN) 2009-05-13 EP disclosed
WO-2008023248-A2 NOVEL MACROLIDES AND KETOLIDES HAVING ANTIMICROBIAL ACTIVITY WOCKHARDT RESEARCH CENTRE (IN) 2008-02-28 WO 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-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity CYP51A1, CASP12, LSS NOTUM 298/4885DDX3X 3633/4885MIF 443/4885

“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.