SCHEMBL7124427

SCHEMBL7124427

CN(C)c1ccc(CN(C(=O)CN2CCC(Nc3ccccn3)CC2)c2ccc3c(c2)nc(CCc2ccc(C(=N)N)cc2)n3C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.44
NQO2 P16083 2/20 0.37
SLC22A2 O15244 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
PROC P04070 1/20 0.37
HPN P05981 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SLC47A2 Q86VL8 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37

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
SCHEMBL7120809 0.92 F2 (0.47) F2NQO2SLC22A2F10PLG
SCHEMBL7120120 0.89 F2 (0.51) F2NQO2SLC22A2F10PLG
SCHEMBL7121489 0.88 F2 (0.48) F2NQO2SLC22A2F10PLG
SCHEMBL7124480 0.87 F2 (0.50) F2NQO2SLC22A2F10PLG
SCHEMBL7118131 0.86 F2 (0.46) F2NQO2SLC22A2F10PLG
SCHEMBL7119763 0.86 F2 (0.46) F2NQO2SLC22A2F10PLG
SCHEMBL7223673 0.86 F2 (0.39) F2
SCHEMBL7121452 0.85 F2 (0.46) F2NQO2SLC22A2F10PLG
SCHEMBL7118128 0.84 F2 (0.49) F2NQO2SLC22A2F10PLG
SCHEMBL7117072 0.84 F2 (0.46) F2NQO2SLC22A2F10PLG

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 3 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

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 489/4885SLC22A2 4372/4885

“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.