SCHEMBL13714812

SCHEMBL13714812

CCNCc1ccc(C(=N)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.53
PRSS2 P07478 5/20 0.53
PRSS3 P35030 5/20 0.53
F10 P00742 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
F2 P00734 4/20 0.46
ST14 Q9Y5Y6 3/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
F7 P08709 1/20 0.46
PLG P00747 1/20 0.44
C1S P09871 1/20 0.44
LMNA P02545 1/20 0.43
MASP2 O00187 1/20 0.43
PLAU P00749 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL12085592 0.81 PRSS1 (0.56) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL14538021 0.81 SMN1; SMN2 (0.39) LMNA
SCHEMBL18235891 0.81 EPHX2 (0.53)
SCHEMBL18235899 0.81 CYP2C9 (0.39) PRSS1ST14LMNA
SCHEMBL1445939 0.80 PRSS1 (0.48) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL48986 0.80 PRSS1 (0.57) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL12083000 0.79 PRSS1 (0.58) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL12085588 0.79 PRSS1 (0.58) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL9180552 0.78 LMNA (0.52) LMNA
SCHEMBL15256411 0.78 RAB9A (0.47) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
EP-2824097-A1 Prolinamide derivative as thrombin inhibitor, preparation method and application thereof Shanghai Institute of Pharmaceutical Industry (CN) 2015-01-14 EP disclosed
EP-2639230-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2013-09-18 EP disclosed
US-7579339-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-25 US disclosed
US-7579339-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-25 US disclosed
US-7176194-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-13 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-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 PRSS1 2685/4885PRSS2 2842/4885PRSS3 2974/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 PRSS1 2685/4885PRSS2 2842/4885PRSS3 2974/4885

“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.