SCHEMBL180952

SCHEMBL180952

O=C=Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP3A4 P08684 3/20 0.45
EPHX2 P34913 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 1/20 0.40
MAPK1 P28482 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL7357034 0.94 KIF11 (0.45) TSHRCYP3A4EPHX2NOS3NOS1
SCHEMBL9859153 0.86 CYP3A4 (0.44) TSHRCYP3A4EPHX2NOS3NOS1
SCHEMBL11533414 0.85 CYP3A4 (0.42) TSHRCYP3A4EPHX2NOS3NOS1
SCHEMBL11325205 0.85 CYP3A4 (0.42) TSHRCYP3A4EPHX2NOS3NOS1
SCHEMBL24246067 0.84 MAPK1 (0.41) TSHRCYP3A4EPHX2NOS3NOS1
SCHEMBL7526636 0.83 NOS3 (0.38) TSHRCYP3A4NOS3NOS1NOS2
SCHEMBL8136787 0.83 TSHR (0.41) TSHRCYP3A4EPHX2MAPTTDP1
SCHEMBL11325113 0.82 CYP3A4 (0.40) TSHRCYP3A4MAPTTDP1KMT2A
SCHEMBL10720388 0.82 CYP3A4 (0.44) TSHRCYP3A4NOS3NOS1NOS2
SCHEMBL1020500 0.82 P2RY6 (0.47) TSHRCYP3A4EPHX2NOS3NOS1

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 1443 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US claimed
CN-117164813-A Lightweight plastic middle frame composite material for battery and preparation method thereof 东莞智通模具塑胶制品有限公司 2023-12-05 CN claimed
CN-115536723-A Preparation method of troostitan 天津天药药业股份有限公司 2022-12-30 CN claimed
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 CN claimed
CN-114436897-A Preparation method and preparation device of p-trifluoromethoxyphenyl isocyanate 浙江丽水有邦新材料有限公司 2022-05-06 CN claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 WO claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 US claimed
CN-111793435-A EMI shielding optimized coating and preparation method thereof 苏州康丽达精密电子有限公司 2020-10-20 CN claimed
CN-111138956-A Thermosetting powder electromagnetic shielding coating 江阴市玲珑高分子材料有限公司 2020-05-12 CN claimed
CN-105918291-A Vehicle-mounted diagnosis and treatment equipment for endangered plant Cercidiphyllum japonicum and working method of vehicle-mounted diagnosis and treatment equipment 徐州工程学院 2016-09-07 CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20020146633-A1 FLUORINATED AROMATIC ACETAL POLYMERS AND PHOTOSENSITIVE COMPOSITIONS CONTAINING SUCH POLYMERS KODAK POLYCHROME GRAPHICS L.L.C. 2002-10-10 US claimed
US-6458503-B1 BLEND WITH DIAZO RESIN; LITHOGRAPHIC PRINTING PLATES; PHOTOPOLYMERIZATION AND CROSSLINKING KODAK POLYCHROME GRAPHICS LLC 2002-10-01 US claimed
WO-2002073315-A1 FLUORINATED AROMATIC ACETAL POLYMERS AND PHOTOSENSITIVE COMPOSITIONS CONTAINING SUCH POLYMERS KODAK POLYCHROME GRAPHICS COMPANY, LTD. (US) 2002-09-19 WO claimed
CN-120988463-B Preparation method of modified graphene oxide polyurethane composite material 内蒙古工业大学 2026-05-01 CN disclosed
WO-2026042018-A1 4-{4-[(1-{[4-(PROPAN-2-YL)PHENYL]CARBAMOYL)-D-PROLYL)AMINO]CYCLOHEXYL}BENZOIC ACID DERIVATIVES AS GIPR ANTAGONISTS FOR THE TREATMENT OF DIABETES PFIZER INC. (US) 2026-02-26 WO disclosed
US-4148902-A N-[(optionally substituted phenylamino)carbonyl] pyridine carboxamides and insecticidal use thereof THE DOW CHEMICAL COMPANY (US) 1979-04-10 US disclosed
US-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed
US-3935258-A FROM A BENZAMIDE, HYPOHALITE, AMINE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 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 (2 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-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 TSHR 4711/4885CYP3A4 4039/4885EPHX2 2935/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 TSHR 4711/4885CYP3A4 4039/4885EPHX2 2935/4885

“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.