SCHEMBL8420366

SCHEMBL8420366

CCCc1ccc(C(=N)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.59
PRSS2 P07478 4/20 0.59
PRSS3 P35030 4/20 0.59
F10 P00742 2/20 0.59
LOXL2 Q9Y4K0 1/20 0.59
ST14 Q9Y5Y6 2/20 0.53
F2 P00734 4/20 0.50
PLK1 P53350 1/20 0.50
TMPRSS6 Q8IU80 1/20 0.50
PLG P00747 1/20 0.48
C1S P09871 1/20 0.48
THRB P10828 1/20 0.48
PLAU P00749 2/20 0.48
LMNA P02545 1/20 0.48
MASP2 O00187 1/20 0.48
THPO P40225 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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 SCHEMBL10342835 0.98 PRSS1 (0.57) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL8995527 0.88 PRSS1 (0.55) PRSS1PRSS2PRSS3F10LOXL2
Hydrochloric Acid SCHEMBL5884387 0.86 PRSS1 (0.53) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL9649899 0.86 ESR1 (0.55) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL9650566 0.84 ESR1 (0.58) THRBLMNA
SCHEMBL9650583 0.84 ESR1 (0.58) THRBLMNA
SCHEMBL9650690 0.84 ESR1 (0.58) THRBLMNA
SCHEMBL9647294 0.84 ESR1 (0.58) THRBLMNA
SCHEMBL9650482 0.84 ESR1 (0.58) THRBLMNA
Hydrochloric Acid SCHEMBL7798271 0.84 SPHK1 (0.56) PRSS1PRSS2PRSS3F10LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109468659-A The method of room temperature synthesizing benzimidazole under the conditions of electrocatalytic method water phase 云南师范大学 2019-03-15 CN disclosed
CN-109456273-A The method of benzenecarboximidamide class compound synthesis benzimidazole compound is used in microwave method water phase 云南师范大学 2019-03-12 CN disclosed
US-9809621-B2 Stable peptide-based PACE4 inhibitors SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2017-11-07 US disclosed
US-20170220717-A1 FREE ENERGY CALCULATION DEVICE, METHOD, PROGRAM, AND RECORDING MEDIUM WITH THE PROGRAM RECORDED THEREON TORAY INDUSTRIES, INC. (JP) 2017-08-03 US disclosed
EP-1940856-B1 NOVEL UROKINASE INHIBITORS UNIV ANTWERPEN (BE) 2014-10-08 EP disclosed
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2014-07-24 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-8003627-B2 Urokinase inhibitors UNIVERSITEIT ANTWERPEN (BE) 2011-08-23 US disclosed
US-8003627-B2 Urokinase inhibitors UNIVERSITEIT ANTWERPEN (BE) 2011-08-23 US disclosed
US-20110177160-A1 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2011-07-21 US disclosed
US-20110130327-A1 Multi-Arm Amines and Uses Thereof MARINA BIOTECH, INC. (US) 2011-06-02 US disclosed
US-20100112042-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics MDRNA, INC. (US) 2010-05-06 US disclosed
US-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 US disclosed
US-20080312191-A1 Novel Urokinase Inhibitors UNIVERSITEIT ANTWERPEN (BE) 2008-12-18 US disclosed
US-20080312191-A1 Novel Urokinase Inhibitors UNIVERSITEIT ANTWERPEN (BE) 2008-12-18 US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 US disclosed
US-5112523-A High clearing point for liquid crystal displays CHISSO CORPORATION (JP) 1992-05-12 US disclosed
US-4874546-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-10-17 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 (7 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-20110130327-A1 Multi-Arm Amines and Uses Thereof SNRPE, SNRPA, ADAR PRSS1 4466/4885PRSS2 4785/4885PRSS3 4740/4885
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS FURIN, DNPEP, PRAP1 PRSS1 100/4885PRSS2 261/4885PRSS3 148/4885
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 PRSS1 17/4885PRSS2 26/4885PRSS3 43/4885
US-20100112042-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics SLC27A2, LYPLA2, SLC47A2 PRSS1 2168/4885PRSS2 982/4885PRSS3 3021/4885
US-20080312191-A1 Novel Urokinase Inhibitors PLAU, PLAUR, SERPINE1 PRSS1 65/4885PRSS2 114/4885PRSS3 124/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 PRSS1 3321/4885PRSS2 3059/4885PRSS3 3486/4885
US-20110177160-A1 Amino acid lipids and uses thereof AADAT, AARS1, ABAT PRSS1 2415/4885PRSS2 2631/4885PRSS3 2984/4885

“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.