SCHEMBL4852287

SCHEMBL4852287

Nc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
BACE1 P56817 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KIF11 P52732 3/20 0.37
EPHX2 P34913 1/20 0.35
SCN4A P35499 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 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
SCHEMBL11546557 0.77 POLB (0.43) TSHRMAPK1ALDH1A1KDM4EPKM
SCHEMBL27928568 0.77 TSHR (0.38) TSHR
SCHEMBL146433 0.74 PDE2A (0.37) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL149760 0.74 TSHR (0.37) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL9725680 0.73 TSHR (0.35) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL95846 0.73 KIF11 (0.36) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL3081819 0.73 MGLL (0.41) TSHRMAPK1NOS3NOS2KDM4E
SCHEMBL146946 0.73 TSHR (0.35) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL148163 0.73 TSHR (0.35) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL101521 0.73 PDE2A (0.36) TSHRMAPK1NOS3NOS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750216-B2 HETEROCYCLIC AMINES SUCH AS 2-(2-(N-METHYLSULFAMOYL)-4-METHOXY -PHENYL)-N-METHYL-N-((1S)-1-PHENYL-2-((1-PYRROLIDINYL)ETHYL)) ACETAMIDE, ADMINISTERED AS ANALGESICS ADOLOR CORPORATION 2004-06-15 US claimed
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2003-07-31 US claimed
CN-115819366-B Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same 重庆医科大学 2024-05-24 CN disclosed
CN-111511719-B Novel quinoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
CN-116217475-A Preparation method of polysubstituted quinoline derivative 中国医学科学院阜外医院深圳医院(深圳市孙逸仙心血管医院) 2023-06-06 CN disclosed
CN-115819366-A Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same 重庆医科大学 2023-03-21 CN disclosed
CN-114502538-A Substituted 3, 4-dihydroquinazolines for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-05-13 CN disclosed
CN-114144401-A Novel quinazoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
CN-111511719-A Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2020-08-07 CN disclosed
CN-109369671-A As Raf kinases and/or the fused tricyclic carbamide compounds of Raf kinases dimer inhibitor 百济神州有限公司 2019-02-22 CN disclosed
CN-105452223-B Fused Tricyclic Ureas as Raf Kinase and/or Raf Kinase Dimer Inhibitors 百济神州有限公司 2018-10-02 CN disclosed
EP-1008601-A2 Method for producing palladium complex compound Central Glass Company, Limited (JP) 2000-06-14 EP disclosed
US-6043242-A TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-28 US disclosed
EP-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 WO disclosed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP disclosed
US-4263441-A BENZOXAZOLE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-21 US disclosed
US-4219352-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-08-26 US disclosed
US-RE30361-E Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-08-05 US disclosed
US-4076741-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1978-02-28 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-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 TSHR 898/4885MAPK1 3096/4885NOS3 1808/4885

“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.