SCHEMBL7120120

SCHEMBL7120120

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3ccccc3)C(=O)CN3CCC(Nc4ccccn4)CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.51
NQO2 P16083 2/20 0.42
F10 P00742 2/20 0.42
SLC22A2 O15244 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PROC P04070 1/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
HDAC1 Q13547 1/20 0.39

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
SCHEMBL7121489 0.96 F2 (0.48) F2NQO2F10SLC22A2PLG
SCHEMBL7119763 0.94 F2 (0.46) F2NQO2F10SLC22A2PLG
SCHEMBL7118131 0.94 F2 (0.46) F2NQO2F10SLC22A2PLG
SCHEMBL7120809 0.92 F2 (0.47) F2NQO2F10SLC22A2PLG
SCHEMBL7122683 0.92 F2 (0.44) F2NQO2F10SLC22A2PLG
SCHEMBL7124480 0.91 F2 (0.50) F2NQO2F10SLC22A2PLG
SCHEMBL7121053 0.90 F2 (0.51) F2NQO2F10SLC22A2PLG
SCHEMBL7113068 0.89 F2 (0.52) F2NQO2F10SLC22A2PLG
SCHEMBL7124427 0.89 F2 (0.44) F2NQO2F10SLC22A2PLG
SCHEMBL7113809 0.89 F2 (0.50) F2F10HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US claimed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 US claimed
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
EP-0925283-B1 NOVEL POLYMERIZABLE ACYL IMIDAZOLIDINONE MONOMERS CYTEC TECH CORP (US) 2003-11-12 EP disclosed
US-6307058-B1 USEFUL IN PAPER AND TEXTILE APPLICATIONS AND IN IMPROVING WET ADHESION PROPERTIES OF LATEX PAINTS. CYTEC TECHNOLOGY CORP. 2001-10-23 US disclosed
EP-0928820-A2 Wet adhesion promoter CYTEC TECHNOLOGY CORP. (US) 1999-07-14 EP disclosed
EP-0925283-A1 NOVEL POLYMERIZABLE ACYL IMIDAZOLIDINONE MONOMERS Cytec Technology Corp. (US) 1999-06-30 EP disclosed
EP-0918749-A1 UREA/UREIDO FUNCTIONAL POLYMERIZABLE MONOMERS Cytec Technology Corp. (US) 1999-06-02 EP disclosed
WO-1997049686-A1 NOVEL POLYMERIZABLE ACYL IMIDAZOLIDINONE MONOMERS CYTEC TECHNOLOGY CORP. (US) 1997-12-31 WO disclosed
WO-1997049676-A1 UREA/UREIDO FUNCTIONAL POLYMERIZABLE MONOMERS CYTEC TECHNOLOGY CORP. (US) 1997-12-31 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 F2 764/4885NQO2 489/4885F10 921/4885

“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.