SCHEMBL2807788

SCHEMBL2807788

COc1c(O)cc(C=O)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
AOX1 Q06278 1/20 0.49
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
TRIM24 O15164 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ERN1 O75460 1/20 0.41
TNFRSF1A P19438 2/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.39
CA4 P22748 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 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
SCHEMBL31132205 1.00 TPMT (0.54) TPMTALDH1A1MAPK1AOX1HPGD
SCHEMBL5155052 0.86 ALDH1A1 (0.57) ALDH1A1AOX1HPGDTDP1TRIM24
SCHEMBL2588646 0.86 MAPT (0.55) TPMTALDH1A1MAPK1HPGDMAPT
SCHEMBL3637463 0.79 CA1 (0.55) ALDH1A1AOX1HPGDTDP1TRIM24
SCHEMBL29361496 0.79 ALDH1A1 (0.59) TPMTALDH1A1MAPK1AOX1HPGD
SCHEMBL1050289 0.79 ALDH1A1 (0.59) TPMTALDH1A1MAPK1AOX1HPGD
SCHEMBL6291227 0.79 SRC (0.53) ALDH1A1AOX1HPGDTDP1TRIM24
SCHEMBL30122857 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1HPGDMAPTTDP1
SCHEMBL524712 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1HPGDMAPTTDP1
SCHEMBL12552993 0.79 SRC (0.49) TPMTALDH1A1MAPK1HPGDMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094561-A Liquid fertilizer ready-to-use agrochemical formulation 2026-05-26 CN disclosed
US-12258329-B2 Pyrimidone derivatives as selective cytotoxic agents against HIV infected cells MERCK SHARP & DOHME LLC (US) 2025-03-25 US disclosed
EP-3898595-B1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-05-01 EP disclosed
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-03-03 US disclosed
EP-3898595-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS Merck Sharp & Dohme Corp. (US) 2021-10-27 EP disclosed
CN-113423695-A Pyrimidinone derivatives as selective cytotoxic agents against HIV infected cells 默沙东公司 2021-09-21 CN disclosed
WO-2020131597-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2020-06-25 WO disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 CN disclosed
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 TPMT 1440/4885ALDH1A1 2202/4885MAPK1 785/4885
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS TYMP, PNP, CD4 TPMT 95/4885ALDH1A1 2371/4885MAPK1 976/4885
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 TPMT 1796/4885ALDH1A1 607/4885MAPK1 2024/4885
US-12258329-B2 Pyrimidone derivatives as selective cytotoxic agents against HIV infected cells TYMP, PNP, CD4 TPMT 95/4885ALDH1A1 2371/4885MAPK1 976/4885

“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.