SCHEMBL851272

SCHEMBL851272

CC(C)(C)OC(=O)NCc1cccc(CBr)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 9/20 0.55
AKT1 P31749 1/20 0.49
KDM4A O75164 1/20 0.48
BRD4 O60885 3/20 0.47
CREBBP Q92793 1/20 0.47
NAMPT P43490 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.44
CYP3A4 P08684 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
SCHEMBL30192965 1.00 GLS (0.55) GLSAKT1KDM4ABRD4CREBBP
SCHEMBL27758372 0.89 GLS (0.55) GLSAKT1KDM4ABRD4CREBBP
SCHEMBL27840005 0.88 KDM4A (0.46) GLSAKT1KDM4ANAMPTCA12
SCHEMBL30069429 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL1165088 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL13981921 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL8342682 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL16181822 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL6661030 0.86 GLS (0.52) GLSAKT1KDM4ABRD4CREBBP
SCHEMBL3346015 0.85 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11787834-B2 Glucocorticoid receptor agonists ELI LILLY AND COMPANY (US) 2023-10-17 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
EP-3946304-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-02-09 EP disclosed
WO-2020198537-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2020-10-01 WO disclosed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 US disclosed
CN-1496262-A Triazolo [4, 5-d ] pyrimidine derivatives and their use as purinergic receptor antagonists О 2004-05-12 CN disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 EP disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO disclosed
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed
EP-1000036-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LIMITED (KR) 2000-05-17 EP disclosed
WO-1999005117-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LTD. (KR) 1999-02-04 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 (6 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 GLS 1001/4885AKT1 2011/4885KDM4A 3428/4885
US-11787834-B2 Glucocorticoid receptor agonists NR3C1, NR3C2, MC2R GLS 4731/4885AKT1 1222/4885KDM4A 2644/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 GLS 1001/4885AKT1 2011/4885KDM4A 3428/4885
US-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 GLS 355/4885AKT1 71/4885KDM4A 4080/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 GLS 2666/4885AKT1 2532/4885KDM4A 2718/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 GLS 1001/4885AKT1 2011/4885KDM4A 3428/4885

“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.