SCHEMBL725720

SCHEMBL725720

C[CH]c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.46
KCNH2 Q12809 6/20 0.42
MAT2A P31153 2/20 0.42
ACHE P22303 1/20 0.39
IKBKB O14920 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5412758 0.83 KCNH2 (0.50) KCNH2MAT2AKDM4ENPC1LMNA
SCHEMBL5407423 0.79 HSD11B1 (0.38) NFE2L2KCNH2MAT2A
SCHEMBL15050564 0.78 NFE2L2 (0.54) NFE2L2KCNH2MAT2AACHEIKBKB
SCHEMBL12186097 0.78 NFE2L2 (0.54) NFE2L2KCNH2MAT2AACHEIKBKB
SCHEMBL5254562 0.75 NFE2L2 (0.50) NFE2L2KCNH2MAT2AACHEIKBKB
SCHEMBL5414214 0.74 CES2 (0.32) NFE2L2CES2CES1
SCHEMBL1461201 0.74 NFE2L2 (0.44) NFE2L2KCNH2MAT2AACHEIKBKB
SCHEMBL12656511 0.71 ACHE (0.46) NFE2L2KCNH2MAT2AACHEABCG2
SCHEMBL95708 0.71 ERN1 (0.50) NFE2L2KCNH2MAT2AIKBKBCES2
SCHEMBL129124 0.71 NFE2L2 (0.46) NFE2L2KCNH2MAT2AIKBKBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN claimed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 CN claimed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
WO-2023246009-A1 OLEFIN POLYMERIZATION METALLOCENE CATALYST COMPOSITION, PREPARATION THEREOF AND USE THEREOF 中国石油天然气股份有限公司 2023-12-28 WO disclosed
WO-2023240961-A1 ETHYLENE-PROPYLENE COPOLYMERIZATION CATALYST COMPOSITION, AND PREPARATION AND USE THEREOF 中国石油天然气股份有限公司 2023-12-21 WO disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN disclosed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 CN disclosed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN disclosed
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2020-02-27 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
US-20030187042-A1 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2003-10-02 US disclosed
US-6613493-B2 Formed by nitrating a polyvinylphenol or a novalak and reacting the the hydroxy group with with a halide comprising an acid labile protecting group, such as 2-(1-bromoethyl)-1,3-difluorobenzene HYNIX SEMICONDUCTOR INC (KR) 2003-09-02 US disclosed
US-20030149087-A1 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2003-08-07 US disclosed
WO-2003015777-A1 NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS LION BIOSCIENCE AG (DE) 2003-02-27 WO disclosed
WO-2003015771-A1 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS LION BIOSCIENCE AG (DE) 2003-02-27 WO disclosed
US-20030013036-A1 Photoresist polymer and composition having nitro groups HYNIX SEMICONDUCTOR INC. (KR) 2003-01-16 US disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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 (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-20030149087-A1 NR1H4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 NFE2L2 408/4885KCNH2 2798/4885MAT2A 3287/4885
US-20030187042-A1 NR1H4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 NFE2L2 386/4885KCNH2 2774/4885MAT2A 3224/4885
US-20200062874-A1 METALLOCENE COMPLEX WITH A HETEROATOM-CONTAINING PI-LIGAND AND PREPARATION METHOD THEREFOR, CATALYST SYSTEM CONTAINING THE SAME AND USE THEREOF ORC3, ORMDL3, OR51E2 NFE2L2 143/4885KCNH2 2787/4885MAT2A 768/4885

“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.