SCHEMBL1715348

SCHEMBL1715348

O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.57
P2RX7 Q99572 1/20 0.56
CTSB P07858 7/20 0.55
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
TACR1 P25103 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL10793551 1.00 CTSL (0.57) CTSLP2RX7CTSBITGA4ITGB7
SCHEMBL7327394 1.00 CTSL (0.57) CTSLP2RX7CTSBITGA4ITGB7
SCHEMBL9334020 0.96 CTSL (0.56) CTSLP2RX7CTSBITGA4ITGB7
SCHEMBL2980678 0.91 P2RX7 (0.49) CTSLP2RX7CTSBITGA4ITGB7
SCHEMBL2980681 0.91 P2RX7 (0.49) CTSLP2RX7CTSBITGA4ITGB7
SCHEMBL31151026 0.90 CASP1 (0.52) CTSLP2RX7
SCHEMBL11415411 0.90 CTSK (0.53) CTSLP2RX7CTSBCTSK
SCHEMBL8436808 0.90 CTSL (0.62) CTSLP2RX7CTSBITGA4ITGB7
SCHEMBL8433969 0.90 CTSL (0.62) CTSLP2RX7CTSBITGA4ITGB7
SCHEMBL8433892 0.90 CTSL (0.62) CTSLP2RX7CTSBITGA4ITGB7

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117064910-A Composite nano enzyme and preparation method and application thereof 东南大学 2023-11-17 CN disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-RE38796-E1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO.,INC. (JP) 2005-09-13 US disclosed
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
US-6890519-B2 Silicone oil/cosolvent system concentrated in active liposoluble cosmetic substance(s), corresponding cosmetic emulsion and formulation RHODIA CHIMIE (FR) 2005-05-10 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP disclosed
EP-0142231-B1 PROCESS FOR PRODUCING SEQUENTIAL POLYAMINO ACID RESIN NITTO BOSEKI CO., LTD. (JP) 1987-11-11 EP disclosed
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed
US-4440678-A ARGININES PENTAPHARM, A.G. (CH) 1984-04-03 US disclosed
EP-0034122-A1 Tripeptide derivatives and their use in the determination of enzymes Pentapharm A.G. (CH) 1981-08-19 EP disclosed
US-RE29369-E AMIDE PRODUCT, SALTS OF HYDROXY-SUBSTITUTED PYRIDINE COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JA) 1977-08-23 US disclosed
US-4043992-A Method for preparing acylated products KYOWA HAKKO KOGYO CO., LTD. (JA) 1977-08-23 US disclosed
US-3984417-A Method of producing active amino acid esters AJINOMOTO CO., INC. (JA) 1976-10-05 US disclosed
US-3976635-A Novel esterifying agents, and their production and use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-24 US disclosed
US-3963728-A ACYLATION OF NITROGEN CONTAINING COMPOUNDS USING ESTERS KYOWA HAKKO KOGYO CO., LTD. (JA) 1976-06-15 US disclosed
US-3933783-A Formation of peptide bonds in the presence of isonitriles AJINOMOTO CO., INC. (JA) 1976-01-20 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA CTSL 1578/4885P2RX7 3881/4885CTSB 2445/4885

“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.