SCHEMBL2536611

SCHEMBL2536611

COc1c(F)cc([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
TSHR P16473 2/20 0.45
PTGS2 P35354 2/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 3/20 0.43
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HIF1A Q16665 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
ERN1 O75460 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 1/20 0.39
POLB P06746 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
SCHEMBL30682916 0.89 HTT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1766238 0.89 HTT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1612862 0.87 ALDH1A1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31361270 0.87 MEN1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8164727 0.84 ERN1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15486324 0.82 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3369144 0.80 TSHR (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12228789 0.79 CYP19A1 (0.43) TSHRLMNAHTTCYP19A1ALDH1A1
SCHEMBL962535 0.79 HTT (0.51) TSHRPTGS2LMNAHTTCYP19A1
SCHEMBL16391103 0.78 S1PR4 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117913367-A Preparation method of composite organic solvent, electrolyte and lithium-sulfur battery 东方电气集团科学技术研究院有限公司 2024-04-19 CN claimed
CN-117913367-A Preparation method of composite organic solvent, electrolyte and lithium-sulfur battery 东方电气集团科学技术研究院有限公司 2024-04-19 CN disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 EP disclosed
CN-109153650-A Amine-substituted aryl or heteroaryl compounds as EHMT1 and EHMT2 inhibitors EPIZYME股份有限公司 2019-01-04 CN disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO disclosed
EP-0734363-B1 FLUORINATION PROCESS F2 CHEMICALS LIMITED (GB) 1999-07-21 EP disclosed
US-5900502-A Fluorination process BNFL FLUOROCHEMICALS LIMITED (GB) 1999-05-04 US disclosed
EP-0734363-A1 FLUORINATION PROCESS BNFL FLUOROCHEMICALS LTD. (GB) 1996-10-02 EP disclosed
WO-1995016649-A1 FLUORINATION PROCESS BNFL FLUOROCHEMICALS LTD. (GB) 1995-06-22 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 (4 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 GRIN2D 2884/4885GRIN3B 2613/4885GRIN1 2196/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 GRIN2D 2884/4885GRIN3B 2613/4885GRIN1 2196/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B GRIN2D 245/4885GRIN3B 113/4885GRIN1 263/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 GRIN2D 1287/4885GRIN3B 2067/4885GRIN1 2600/4885

“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.