SCHEMBL4936441

SCHEMBL4936441

Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(CNCC(=O)O)C(=O)N3CCCC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.67
F10 P00742 3/20 0.67
PRSS1 P07477 2/20 0.60
PRSS2 P07478 2/20 0.60
PRSS3 P35030 2/20 0.60
NQO2 P16083 2/20 0.52
SLC22A2 O15244 1/20 0.52
PLG P00747 1/20 0.52
PLAT P00750 1/20 0.52
PROC P04070 1/20 0.52
HPN P05981 1/20 0.52
SLC47A2 Q86VL8 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52
KLK1 P06870 1/20 0.51
KLK5 Q9Y337 1/20 0.51
HDAC6 Q9UBN7 3/20 0.45

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
SCHEMBL6905557 0.94 F2 (0.61) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7417746 0.88 F2 (0.67) F2F10PRSS1PRSS2PRSS3
SCHEMBL8109478 0.87 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL6141244 0.84 F2 (0.64) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7412015 0.84 F2 (0.62) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7411415 0.83 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL3001133 0.82 F2 (0.80) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7101701 0.81 F2 (0.79) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL29456575 0.80 F2 (1.00) F2F10PRSS1PRSS2PRSS3
Tanogitran SCHEMBL2989514 0.80 F2 (1.00) F2F10PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076934-A1 (R)-2-(4-amidinophenylaminomethyl)-1-methyl-5-[1-(carboxymethylamino)-1- (pyrrolidinocarbonyl)-ethyl]-benzimidazole, the monohydrochloride thereof, preparation thereof and the use as pharmaceutical composition LINZ GUENTER 2008-03-27 US disclosed
US-20040010026-A1 (R) 2-(4-amidinophenylaminomethyl)-1-methyl-5-[1-(carboxymethylamino)-1 (pyrrolidinocarbonyl)-ethyl]-benzimidazole, the monohydrochloride thereof, preparation thereof and the use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 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-20080076934-A1 (R)-2-(4-amidinophenylaminomethyl)-1-methyl-5-[1-(carboxymethylamino)-1- (pyrrolidinocarbonyl)-ethyl]-benzimidazole, the monohydrochloride thereof, preparation thereof and the use as pharmaceutical composition PBRM1, H1-4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 F2 1369/4885F10 3269/4885PRSS1 3677/4885
US-20040010026-A1 (R) 2-(4-amidinophenylaminomethyl)-1-methyl-5-[1-(carboxymethylamino)-1 (pyrrolidinocarbonyl)-ethyl]-benzimidazole, the monohydrochloride thereof, preparation thereof and the use as pharmaceutical composition PBRM1, H1-4, PKD1 F2 1545/4885F10 3756/4885PRSS1 3710/4885

“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.