SCHEMBL6375583

SCHEMBL6375583

[CH2]CCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
EPHX2 P34913 1/20 0.53
FABP7 O15540 2/20 0.46
FABP5 Q01469 2/20 0.46
CASP3 P42574 2/20 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
SCHEMBL7595024 0.92 KMT2A (0.70) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL19893094 0.90 KMT2A (0.73) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL8762032 0.89 KMT2A (0.75) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL1020573 0.88 KMT2A (0.61) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL163534 0.87 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL793384 0.87 KMT2A (0.85) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL28617673 0.87 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL6708134 0.86 KMT2A (0.60) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL730784 0.85 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL1157227 0.85 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2015-10-15 US claimed
EP-2861610-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION Blirt S.A. (PL) 2015-04-22 EP claimed
WO-2013186384-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2013-12-19 WO claimed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
CN-104520309-B N- substitution second generation derivatives of antifungal antibiotic amphotericin B and its preparation method and application 布里特股份公司 2018-05-04 CN disclosed
US-9745335-B2 N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application BLIRT S.A. (PL) 2017-08-29 US disclosed
CN-105879047-A OLIGOSACCHARIDE-PROTEIN CONJUGATES 建新公司 2016-08-24 CN disclosed
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2015-10-15 US disclosed
EP-2861610-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION Blirt S.A. (PL) 2015-04-22 EP disclosed
CN-103936716-A Diamide compounds having muscarinic receptor antagonist and beta 2 adrenoceptor agonist activity THERAVANCE INC 2014-07-23 CN disclosed
CN-102405218-B Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2014-06-04 CN disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed
EP-1107970-A2 COLLECTIONS OF COMPOUNDS Spirogen Limited (GB) 2001-06-20 EP disclosed
WO-2000012509-A2 COLLECTIONS OF COMPOUNDS SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
CN-1238688-A Thiol sulfonamide metalloprotease inhibitors MONSANTO CO (US) 1999-12-15 CN disclosed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US disclosed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
US-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5529984-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 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-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION ERG28, LSS, NPC1 KMT2A 3056/4885EPHX2 4439/4885FABP7 3881/4885

“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.