SCHEMBL760556

SCHEMBL760556

COC(=O)c1cccc2c1ccn2C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
NR4A2 P43354 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL30285064 0.89 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL30681378 0.86 L3MBTL1 (0.43) KMT2AMEN1MAPTL3MBTL1
SCHEMBL3166303 0.86 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1
SCHEMBL13262985 0.83 L3MBTL1 (0.41) KMT2AMEN1MAPTL3MBTL1
SCHEMBL29651126 0.82 KMT2A (0.76) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL1746797 0.82 KMT2A (0.76) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3175931 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL18992506 0.82 NOTUM (0.43) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8211914 0.81 FABP4 (0.46) L3MBTL1
SCHEMBL29992759 0.81 FABP4 (0.46) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 WO disclosed
US-20220144850-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-05-12 US disclosed
WO-2021018298-A1 INDOLO-SEVEN-MEMBERED ACYLOXIME COMPOUNDS AS PARP INHIBITORS 南京明德新药研发有限公司 2021-02-04 WO disclosed
WO-2020156577-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR 正大天晴药业集团股份有限公司 2020-08-06 WO disclosed
US-20130210740-A1 NEO-TRYPTOPHAN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-15 US disclosed
EP-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
EP-2582680-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20050272661-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION 2005-12-08 US disclosed
US-6921805-B2 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-07-26 US disclosed
US-20040220108-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION 2004-11-04 US disclosed
US-6765099-B2 NOVEL AMINO ACID, NEO-TRYPTOPHAN, AS WELL AS POLYPEPTIDES CONTAINING THIS NOVEL AMINO ACID SUCH AS NEUROTENSIN ANALOGS. IN ADDITION, THE INVENTION PROVIDES NEO- TRYPTOPHAN DERIVATIVES, SEROTONIN-LIKE NEO-TRYPTOPHAN DERIVATIVES AND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-07-20 US disclosed
US-20030166505-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION 2003-09-04 US disclosed
US-20010027174-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH MINNESOTA CORPORATION 2001-10-04 US disclosed
EP-1067950-A4 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL (US) 2001-09-05 EP disclosed
US-6214790-B1 POLYPEPTIDES OF NEOTRYPTOPHAN AND SYNTHESIS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2001-04-10 US disclosed
EP-1067950-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-01-17 EP disclosed
WO-1999052539-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-10-21 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 (7 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-20040220108-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 KMT2A 3065/4885MEN1 2948/4885MAPT 2063/4885
US-20030166505-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 KMT2A 3065/4885MEN1 2948/4885MAPT 2063/4885
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 KMT2A 1942/4885MEN1 747/4885MAPT 2743/4885
US-20010027174-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 KMT2A 3065/4885MEN1 2948/4885MAPT 2063/4885
US-20130210740-A1 NEO-TRYPTOPHAN OPRL1, GAP43, NTSR1 KMT2A 3981/4885MEN1 3816/4885MAPT 2885/4885
US-20220144850-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR PARP1, PARP2, PARP3 KMT2A 713/4885MEN1 3060/4885MAPT 465/4885
US-20050272661-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 KMT2A 3065/4885MEN1 2948/4885MAPT 2063/4885

“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.