SCHEMBL600282

SCHEMBL600282

O=C1CCCN1N1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
BRD2 P25440 1/20 0.52
LMNA P02545 3/20 0.42
PIK3CD O00329 1/20 0.41
TSHR P16473 2/20 0.39
CHRM2 P08172 2/20 0.37
CHRM5 P08912 2/20 0.37
CYP2D6 P10635 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM4 P08173 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL28113778 0.97 BRD4 (0.50) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL2363506 0.94 BRD4 (0.48) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL3053956 0.91 BRD4 (0.46) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL12443428 0.90 BRD4 (0.43) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL1440028 0.90 BRD4 (0.43) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL11382367 0.88 BRD4 (0.42) BRD4BRD2LMNAPIK3CDCHRM2
SCHEMBL14559892 0.87 BRD4 (0.39) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL12450880 0.87 CHRM2 (0.39) BRD4BRD2LMNAPIK3CDCHRM2
SCHEMBL5339702 0.87 BRD4 (0.42) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL1065591 0.83 BRD4 (0.44) BRD4BRD2LMNAPIK3CDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715988-A Bipyrrolinone compounds DIC株式会社 2024-03-15 CN claimed
US-20170204062-A1 PROCESS FOR THE PREPARATION OF REGORAFENIB AND ITS CRYSTALLINE FORMS SHILPA MEDICARE LIMITED (IN) 2017-07-20 US claimed
EP-1131062-B1 INJECTABLE PROPOFOL FORMULATIONS VETERINARY RES ASSOCIATES INC (US) 2005-01-26 EP claimed
CN-117715988-A Bipyrrolinone compounds DIC株式会社 2024-03-15 CN disclosed
CN-117715988-A Bipyrrolinone compounds DIC株式会社 2024-03-15 CN disclosed
WO-2024034957-A1 ELECTROCHROMIC ELEMENT AND WINDOW DEVICE COMPRISING SAME 에스케이씨 주식회사 2024-02-15 WO disclosed
CN-111344562-B Compositions, methods, kits and devices for molecular analysis 因特根克斯股份有限公司 2023-09-12 CN disclosed
CN-116368143-A Nucleoside 5' -substituted monophosphates, prodrugs thereof, and uses thereof 埃莫里大学 2023-06-30 CN disclosed
CN-111372456-B Herbicidally active pyridyl-/pyrimidinyl-pyrazine derivatives 先正达参股股份有限公司 2022-10-18 CN disclosed
WO-2021095482-A1 METHOD FOR PRODUCING POLYAMIDE, AND POLYAMIDE 株式会社クレハ 2021-05-20 WO disclosed
CN-109971340-A A kind of antistatic antirust covers the preparation method of iron film 常州市贝特织造有限公司 2019-07-05 CN disclosed
CN-1086396-C Preparation of water-soluble copolymers of at least one water-soluble N-vinyllactam and at least one hydrophobic comonomer BASF AG (DE) 2002-06-19 CN disclosed
EP-1168470-A1 Hydrogen absorbing alloy electrode, method of fabricating the same and alkaline storage battery SANYO ELECTRIC Co., Ltd. (JP) 2002-01-02 EP disclosed
CN-1069898-C Purification of N-vinylpyrrolidone by crystallization BASF AG (DE) 2001-08-22 CN disclosed
WO-1999055505-A1 DIFFUSABLE ANTISAPSTAIN METHOD AND COMPOSITIONS NEW ZEALAND FOREST RESEARCH INSTITUTE LIMITED (NZ) 1999-11-04 WO disclosed
US-5753373-A SUBSTRATE COATED WITH INORGANIC METAL OXIDE PARTICLES, NONIONIC SURFACTANTS; SURGICAL FACE, EYE SHIELDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-19 US disclosed
CN-1163900-A Preparation of water-soluble copolymers of at least one water-soluble N-vinyllactam and at least one hydrophobic comonomer BASF AG (DE) 1997-11-05 CN disclosed
EP-0500625-A1 COMPOSITION FOR CLEANING AN INTERNAL COMBUSTION ENGINE PETRO CHEMICAL PRODUCTS INC. (US) 1992-09-02 EP disclosed
WO-1991007578-A1 COMPOSITION FOR CLEANING AN INTERNAL COMBUSTION ENGINE PETRO CHEMICAL PRODUCTS INC. (US) 1991-05-30 WO disclosed
US-4997454-A Precipitation THE UNIVERSITY OF ROCHESTER (US) 1991-03-05 US 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 (1 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-20170204062-A1 PROCESS FOR THE PREPARATION OF REGORAFENIB AND ITS CRYSTALLINE FORMS BRAF, ALK, NRAS BRD4 1461/4885BRD2 1637/4885LMNA 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.