SCHEMBL6156620

SCHEMBL6156620

CNS(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)c1ccc(OC2CCN(C(C)=N)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.83
KCNH2 Q12809 1/20 0.83
F2 P00734 6/20 0.79
PRSS1 P07477 3/20 0.56

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
Hydrochloric Acid SCHEMBL6953172 0.99 F10 (0.82) F10KCNH2F2PRSS1
SCHEMBL6956447 0.92 F10 (0.81) F10KCNH2F2PRSS1
SCHEMBL8800030 0.92 F10 (0.81) F10KCNH2F2PRSS1
SCHEMBL6959108 0.92 F10 (0.84) F10KCNH2F2PRSS1
SCHEMBL6960754 0.92 F10 (0.78) F10KCNH2F2PRSS1
SCHEMBL6954191 0.91 F10 (0.76) F10KCNH2F2PRSS1
SCHEMBL7199874 0.91 F10 (0.79) F10KCNH2F2PRSS1
Hydrochloric Acid SCHEMBL6951488 0.90 F10 (0.98) F10KCNH2F2PRSS1
Hydrochloric Acid SCHEMBL6961562 0.90 F10 (0.78) F10KCNH2F2PRSS1
Hydrochloric Acid SCHEMBL6960473 0.90 F10 (0.78) F10KCNH2F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187249-A1 An aqueous solution of a physiologically active substance which may have a substituent and which has an amidino group, the solution having a pH > 2 and -/< than 4; storage stability; parental injections; 2-[4-[((3S)-1-acetoimidoyl-3-pyrrolidinyl)oxy]phenyl] -3-(7-amidino-2-naphthyl)propionic acid; kits DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-08-25 US claimed
EP-1504755-A1 LYOPHILIZATION PRODUCT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP claimed
EP-1043020-A1 MEDICINAL COMPOSITION FOR PERCUTANEOUS ADMINISTRATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-11 EP claimed
EP-0966973-A1 SORBEFACIENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-12-29 EP claimed
EP-0953359-A1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-03 EP claimed
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 US claimed
US-20050187249-A1 An aqueous solution of a physiologically active substance which may have a substituent and which has an amidino group, the solution having a pH > 2 and -/< than 4; storage stability; parental injections; 2-[4-[((3S)-1-acetoimidoyl-3-pyrrolidinyl)oxy]phenyl] -3-(7-amidino-2-naphthyl)propionic acid; kits DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-08-25 US disclosed
EP-1504755-A1 LYOPHILIZATION PRODUCT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
US-6596754-B1 Drug for hypercytokinemia, liver diseases, and syndromes caused by the aggravation of sepsis, containing an anti-thrombin agent and/or a thrombin production inhibitor as an active ingredient. The present invention is applicable to DAIICHI PHARMACEUTICALS CO., LTD. (JP) 2003-07-22 US disclosed
EP-1110556-A1 PREVENTIVES/REMEDIES FOR MULTIPLE ORGAN FAILURE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-27 EP disclosed
EP-1043020-A1 MEDICINAL COMPOSITION FOR PERCUTANEOUS ADMINISTRATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-11 EP disclosed
EP-0966973-A1 SORBEFACIENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-12-29 EP disclosed
EP-0953359-A1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-03 EP disclosed
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 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-20050187249-A1 An aqueous solution of a physiologically active substance which may have a substituent and which has an amidino group, the solution having a pH > 2 and -/< than 4; storage stability; parental injections; 2-[4-[((3S)-1-acetoimidoyl-3-pyrrolidinyl)oxy]phenyl] -3-(7-amidino-2-naphthyl)propionic acid; kits NGLY1, IDE, NPPA F10 98/4885KCNH2 1792/4885F2 457/4885

“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.