SCHEMBL45202

SCHEMBL45202

O=C(O)c1ccc2c(c1)CCCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
MAPT P10636 2/20 1.00
ALDH1A1 P00352 2/20 0.58
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ACHE P22303 2/20 0.48
PLAU P00749 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD2 P14416 1/20 0.44

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
SCHEMBL29673258 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL2638095 0.89 KDM4E (0.81) KDM4EMAPTALDH1A1ACHEALOX15
SCHEMBL29530477 0.89 KDM4E (0.81) KDM4EMAPTALDH1A1ACHEALOX15
SCHEMBL29202153 0.89 KDM4E (0.78) KDM4EMAPTALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL698487 0.88 KDM4E (0.78) KDM4EMAPTALDH1A1ACHEALOX15
SCHEMBL2730135 0.86 KDM4E (0.76) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL29365830 0.86 KDM4E (0.76) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL3096482 0.85 MAPT (0.73) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL30011603 0.85 KDM4E (0.73) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL28039955 0.85 MAPT (0.73) KDM4EMAPTALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN claimed
CN-105189461-B The dibasic 1- acyl groups -4- amino -1,2,3,4- tetrahydroquinoline derivatives of 2,3- and their purposes as bromine domain inhibitor 葛兰素史克知识产权第二有限公司 2018-05-15 CN claimed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP claimed
EP-1585757-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-08-01 EP claimed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO claimed
EP-1585757-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP claimed
US-7442793-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US claimed
US-20070173542-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2007-07-26 US claimed
JP-2006516120-A 2006-06-22 JP claimed
EP-1585757-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP claimed
WO-2005072733-A1 DYARYLUREA COMPOUNDS AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-08-11 WO claimed
US-20050176733-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-08-11 US claimed
WO-2004052919-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO claimed
EP-4547247-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2025-05-07 EP disclosed
US-20240262820-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. 2024-08-08 US disclosed
CN-112543764-B Amide compound with BET proteolytic induction effect and medical application thereof 田边三菱制药株式会社 2024-05-10 CN disclosed
WO-1995014697-A1 HETEROCYCLIC ESTERS OF RAPAMYCIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-01 WO disclosed
US-5385909-A Heterocyclic esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US disclosed
US-5354753-A Methotrexate derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1994-10-11 US disclosed
EP-0543997-A1 NOVEL METHOTREXATE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-06-02 EP 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 (3 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-20240262820-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING HPGD, HPGDS, PTGS1 KDM4E 3885/4885MAPT 4762/4885ALDH1A1 183/4885
US-20070173542-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 KDM4E 2591/4885MAPT 3716/4885ALDH1A1 4302/4885
US-20050176733-A1 Chk-1 inhibitors CHEK1, CHEK2, CHKA KDM4E 955/4885MAPT 3306/4885ALDH1A1 3770/4885

“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.