SCHEMBL1028860

SCHEMBL1028860

FC(F)(F)c1c[c][c]cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KIF11 P52732 5/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
MGLL Q99685 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL1419329 0.74 TSHR (0.36) TSHRALDH1A1KIF11
SCHEMBL8447527 0.74 TSHR (0.38) TSHRALDH1A1KIF11CES2CES1
SCHEMBL1950086 0.70
SCHEMBL3309426 0.70
SCHEMBL4124 0.69 ALDH1A1 (0.50) TSHRALDH1A1KIF11CES2CES1
SCHEMBL21777186 0.67 ALDH1A1 (0.48) TSHRALDH1A1KIF11CES2CES1
SCHEMBL11780153 0.67 ALDH1A1 (0.48) TSHRALDH1A1KIF11CES2CES1
SCHEMBL20774399 0.67 ALDH1A1 (0.48) TSHRALDH1A1KIF11CES2CES1
SCHEMBL28818315 0.67 ALDH1A1 (0.48) TSHRALDH1A1KIF11CES2CES1
SCHEMBL3371 0.67 TSHR (0.48) TSHRALDH1A1KIF11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101393-A1 REPELLING AGENT ダイキン工業株式会社 2024-05-16 WO disclosed
US-20240122065-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN TOSOH CORPORATION (JP) 2024-04-11 US disclosed
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 EP disclosed
CN-116157382-A Material for metal patterning, amine compound, electronic device, and method for forming metal pattern 东曹株式会社 2023-05-23 CN disclosed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
WO-2020099511-A1 BENZIMIDAZOLE-2-METHYL-MORPHOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-05-22 WO disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
EP-2648518-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-10-16 EP disclosed
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-09-26 US disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012076704-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-06-14 WO disclosed
US-7879244-B1 removal of a substance which has a negative charge from an aqueous liquid by contacting the liquid with an anion-exchanger that comprises mixed mode anion-exchanging ligands in which there is a positively charged nitrogen allowing binding of substance to the anion-exchanger, and desorbing substance GE HEALTHCARE BIO-SCIENCES AB (SE) 2011-02-01 US disclosed
EP-1235749-B1 A METHOD FOR ANION-EXCHANGE ADSORPTION GE HEALTHCARE BIO SCIENCES AB (SE) 2011-01-19 EP disclosed
EP-1235749-A1 A METHOD FOR ANION-EXCHANGE ADSORPTION AND THIOETHER ANION-EXCHANGERS Amersham Biosciences AB (SE) 2002-09-04 EP disclosed
WO-2001038228-A1 A METHOD FOR ANION-EXCHANGE ADSORPTION AND THIOETHER ANION-EXCHANGERS AMERSHAM BIOSCIENCES AB (SE) 2001-05-31 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-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R TSHR 346/4885ALDH1A1 604/4885KIF11 4434/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R TSHR 346/4885ALDH1A1 604/4885KIF11 4434/4885
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests RTN3, RRS1, RTF1 TSHR 1038/4885ALDH1A1 3516/4885KIF11 2350/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R TSHR 346/4885ALDH1A1 604/4885KIF11 4434/4885

“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.