Sugi Predict

Sugi Predict / Compounds / SCHEMBL42429

SCHEMBL42429

SCHEMBL42429

[NH]c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CES2 O00748 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.45
▸ IDO1 P14902 2/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41

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
SCHEMBL6153536 0.82 LTA4H (0.47) TSHRMAPK1ALDH1A1MAPTNPSR1
SCHEMBL5544078 0.81 TSHR (0.35) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL62723 0.81 TSHR (0.67) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL28126330 0.78 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL5698952 0.78 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL30252943 0.78 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
Benzene SCHEMBL8568955 0.78 TSHR (0.67) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL30553105 0.78 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
Fluoride SCHEMBL30661872 0.78 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL8718176 0.76 TSHR (0.63) TSHRMAPK1CES2MGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592554-A Thienopyrrole derivative and preparation method and application thereof 重庆文理学院 2020-08-28 — — CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN claimed
CN-110590692-A 6H-1, 3-oxazoline-6-ketone compound and application thereof in drugs for treating attention deficit hyperactivity disorder 张振亭 2019-12-20 — — CN claimed
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US claimed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 — — EP claimed
US-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2010-07-01 — — US claimed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 — — WO claimed
EP-2198710-A1 Use of 5-pyridin-4yl-(1,3) thiazoles for combating phytopathogenic fungi Bayer CropScience AG (DE) 2010-06-23 — — EP claimed
US-20070031514-A1 Use of isoindolinone derivatives as insecticides BAYER CROPSCIENCE AG (DE) 2007-02-08 — — US claimed
EP-1635639-A1 USE OF ISOINDOLINONE DERIVATIVES AS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-03-22 — — EP claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 — — EP claimed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 — — US claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 — — US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 — — EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 — — WO claimed
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 — — US claimed
EP-0476761-A1 4-substituted isoxazoles EASTMAN KODAK COMPANY (US) 1992-03-25 — — EP claimed
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 — — EP claimed
EP-0050385-A1 Piridoxine derivatives, a process for their preparation and related pharmaceutical compositions D and D S.r.l. (IT) 1982-04-28 — — EP claimed
US-3980685-A Magnesium-aluminum containing complexes of organic anions of central nervous system affecting compounds KYOWA CHEMICAL INDUSTRY CO., LTD. (JA) 1976-09-14 — — US claimed

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-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi PIR, PNPO, PDXK TSHR 4142/4885MAPK1 1882/4885CES2 3820/4885
US-20070031514-A1 Use of isoindolinone derivatives as insecticides DDT, CYP1A2, CYP1A1 TSHR 2249/4885MAPK1 2886/4885CES2 700/4885

“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.