SCHEMBL114404

SCHEMBL114404

O=[C]c1ccc(NNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
EPHX2 P34913 1/20 0.53
GAA P10253 1/20 0.43
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
CASP3 P42574 2/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 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
SCHEMBL12235815 0.87 KMT2A (0.64) KMT2AEPHX2GAAFABP5FABP7
SCHEMBL14898524 0.85 KMT2A (0.59) KMT2AEPHX2GAAFABP5FABP7
SCHEMBL178731 0.84 KMT2A (0.57) KMT2AEPHX2GAAFABP5FABP7
SCHEMBL22635803 0.82 KMT2A (0.56) KMT2AEPHX2GAAFABP5CASP3
SCHEMBL114581 0.80 KMT2A (0.56) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL6182639 0.79 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL23094050 0.78 F2 (0.43) KMT2AEPHX2
SCHEMBL3017639 0.76 EPHX2 (0.60) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL13187755 0.76 EPHX2 (0.60) KMT2AEPHX2GAAFABP5FABP7
SCHEMBL13613350 0.76 KMT2A (0.72) KMT2AEPHX2FABP5FABP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130228-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2005-06-16 US claimed
US-20030138847-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US claimed
EP-1268050-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. Lundbeck A/S (DK) 2003-01-02 EP claimed
WO-2001068598-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 WO claimed
WO-2024031155-A1 RADIOPHARMACEUTICALS AdvanCell Isotopes Pty Limited (AU) 2024-02-15 WO disclosed
US-20230107647-A1 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-06 US disclosed
US-20230046947-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-02-16 US disclosed
CN-115279416-A Reactive conjugates 德彪药业国际股份公司 2022-11-01 CN disclosed
US-20220185841-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, REAGENT FOR FORMING PROTECTIVE GROUP, AND HYDRAZINE DERIVATIVE FUJIFILM CORPORATION (JP) 2022-06-16 US disclosed
EP-4011902-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, REAGENT FOR FORMING PROTECTING GROUP, AND HYDRAZINE DERIVATIVE FUJIFILM Corporation (JP) 2022-06-15 EP disclosed
US-11162952-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-02 US disclosed
WO-2021110860-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2021-06-10 WO disclosed
US-20050130228-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2005-06-16 US disclosed
US-20040106151-A1 Perfluoro sulfonyl halides and related species as polymer support modifiers GE HEALTHCARE LIMITED (GB) 2004-06-03 US disclosed
EP-1352243-A2 PERFLUORO SULFONYL HALIDES AND RELATED SPECIES AS POLYMER SUPPORT MODIFIERS Amersham plc (GB) 2003-10-15 EP disclosed
US-20030138847-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
US-20030124612-A1 Perfluoro sulfonyl halides and related species as polymer support modifiers HOLMES CHRISTOPHER (US) 2003-07-03 US disclosed
EP-1268050-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. Lundbeck A/S (DK) 2003-01-02 EP disclosed
WO-2002055026-A2 PERFLUORO SULFONYL HALIDES AND RELATED SPECIES AS POLYMER SUPPORT MODIFIERS AFFYMAX INC (US) 2002-07-18 WO disclosed
WO-2001068598-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 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 (4 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-20230107647-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, ANPEP, VIP KMT2A 114/4885EPHX2 4536/4885GAA 2829/4885
US-20220185841-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, REAGENT FOR FORMING PROTECTIVE GROUP, AND HYDRAZINE DERIVATIVE VIP, HRH1, NGLY1 KMT2A 1820/4885EPHX2 2348/4885GAA 4522/4885
US-11162952-B2 Single molecule peptide sequencing MICA, ANPEP, VIP KMT2A 1930/4885EPHX2 4544/4885GAA 1787/4885
US-20230046947-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A KMT2A 1155/4885EPHX2 2681/4885GAA 245/4885

“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.