SCHEMBL195126

SCHEMBL195126

N#CC(F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.45
PDE2A O00408 2/20 0.43
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
ACP3 P15309 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
MGLL Q99685 1/20 0.35
CYP19A1 P11511 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
SCHEMBL17465918 0.80 KIF11 (0.47) KIF11PDE2ACES2CES1ACP3
SCHEMBL15775923 0.77 KIF11 (0.44) KIF11PDE2ACES2CES1ACP3
SCHEMBL6908520 0.77 TSHR (0.54) KIF11PDE2ACES2CES1ACP3
SCHEMBL5353277 0.77 TSHR (0.54) KIF11PDE2ACES2CES1ACP3
SCHEMBL7964772 0.77 KIF11 (0.44) KIF11PDE2ACES2CES1ACP3
SCHEMBL29179936 0.77 KIF11 (0.44) KIF11PDE2ACES2CES1ACP3
SCHEMBL18210542 0.77 PDE2A (0.46) KIF11PDE2ACES2CES1ACP3
SCHEMBL5188795 0.76 PNMT (0.49) CES2ACP3TSHRMGLL
Hydrochloric Acid SCHEMBL15775480 0.75 KIF11 (0.42) KIF11PDE2ACES2CES1ACP3
SCHEMBL7958219 0.75 LMNA (0.47) ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773616-B1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-19 EP disclosed
CN-104024225-B Kill the compound of harmful organism 先正达参股股份有限公司 2017-06-09 CN disclosed
US-9497965-B2 Pesticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-11-22 US disclosed
US-20140274692-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-18 US disclosed
EP-2773616-A1 PESTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-09-10 EP disclosed
CN-104024225-A Pesticidal compounds SYNGENTA PARTICIPATIONS AG 2014-09-03 CN disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
WO-2013064520-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
EP-1501803-A4 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-04-26 EP disclosed
EP-1622916-A2 HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2006-02-08 EP disclosed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO disclosed
CN-1620441-A Nile red type compound emitting red light, process for producing the same, and luminescent element utilizing the same HOROSE ENGINEERING CO LTD (JP) 2005-05-25 CN disclosed
EP-1501803-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004094371-A2 HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-11-04 WO disclosed
WO-2003093231-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-11-13 WO disclosed
US-6528657-B2 For use in electroluminescence light emission element and can emit lights of various colors when an energy such as electric energy or electromagnetic energy is applied thereto TAIHO INDUSTRIES CO., LTD. (JP) 2003-03-04 US disclosed
US-20030023099-A1 Novel fluorescent carbazole derivative HIROSE ENGINEERING CO., LTD. (JP) 2003-01-30 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 (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-20140274692-A1 PESTICIDAL COMPOUNDS C5, CBR3, C3AR1 KIF11 3832/4885PDE2A 1182/4885CES2 178/4885
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity CCR2, CCR5, CCR1 KIF11 2701/4885PDE2A 455/4885CES2 681/4885
US-20030023099-A1 Novel fluorescent carbazole derivative CBR3, AANAT, SIRT3 KIF11 1198/4885PDE2A 2223/4885CES2 747/4885

“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.