SCHEMBL5115918

SCHEMBL5115918

N#Cc1cccc(CNNC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 1/20 0.52
VNN1 O95497 5/20 0.52
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
LMNA P02545 1/20 0.50
MEP1A Q16819 1/20 0.49
MEP1B Q16820 1/20 0.49
MAOA P21397 2/20 0.47
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
CNR1 P21554 1/20 0.46
FOLH1 Q04609 1/20 0.46
SCN8A Q9UQD0 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.44
GLS O94925 1/20 0.44

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
SCHEMBL27237606 0.84 MAOA (0.47) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL3461756 0.84 ERCC1 (0.60) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL5106820 0.79 ERCC1 (0.44) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL30525768 0.79 ERCC1 (0.44) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL2774523 0.78 FFAR1 (0.52) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL2007111 0.78 CNR1 (0.62) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL38654611 0.76 ERCC1 (0.59) VNN1ERCC1ERCC4LMNAMEP1A
SCHEMBL8645386 0.76 ERCC1 (0.59) VNN1ERCC1ERCC4LMNAMEP1A
SCHEMBL9365904 0.76 MAOA (0.66) VNN1ERCC1ERCC4MAOA
SCHEMBL534926 0.76 FFAR1 (0.53) FFAR1FFAR4VNN1ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
EP-1355894-B1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIV LJUBLJANI (SI) 2005-03-16 EP disclosed
US-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors UNIVERZA V LJUBLJANA (SI) 2004-03-11 US disclosed
EP-1355894-A1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) 2003-10-29 EP disclosed
WO-2002051824-A1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIVERZA V LJUBLJANI (DE) 2002-07-04 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 (5 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-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors TFPI, SERPINC1, F2 FFAR1 3576/4885FFAR4 4164/4885VNN1 553/4885
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 FFAR1 3599/4885FFAR4 4148/4885VNN1 1453/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A FFAR1 1504/4885FFAR4 1063/4885VNN1 4217/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A FFAR1 1504/4885FFAR4 1063/4885VNN1 4217/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A FFAR1 1504/4885FFAR4 1063/4885VNN1 4217/4885

“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.