SCHEMBL779824

SCHEMBL779824

O=P(CC(F)(F)F)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 2/20 0.50
ALPG P10696 1/20 0.50
ALOX12 P18054 1/20 0.50
NPY1R P25929 1/20 0.50
HTT P42858 1/20 0.50
NPY2R P49146 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CFTR P13569 1/20 0.41
POLB P06746 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
SCHEMBL780439 0.83 CYP1A2 (0.42) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL779717 0.82 CFTR (0.41) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL777238 0.78 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL2700240 0.78 CFTR (0.59) ALDH1A1GAAUSP2MEN1KMT2A
SCHEMBL4319820 0.77 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL1800378 0.77 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL779809 0.75 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL5570426 0.75 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2GAAALPG
SCHEMBL9949805 0.74 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL11704934 0.74 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same FUJIFILM CORPORATION (JP) 2025-09-23 US disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
EP-4052760-B1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM CORP (JP) 2024-03-13 EP disclosed
EP-4052760-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM Corporation (JP) 2022-09-07 EP disclosed
US-20220259185-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM CORPORATION (JP) 2022-08-18 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2005046683-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2005-05-26 WO disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 WO disclosed
JP-2002193846-A METHOD FOR PRODUCING TRIFLUOROPROPENYL COMPOUND SUMITOMO CHEM CO LTD 2002-07-10 JP 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD ALDH1A1 2876/4885MAPT 3247/4885SMN1; SMN2 2756/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL ALDH1A1 4150/4885MAPT 4688/4885SMN1; SMN2 1852/4885
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same DHODH, IDH1, IDH2 ALDH1A1 117/4885MAPT 4437/4885SMN1; SMN2 4686/4885
US-20220259185-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME DHODH, IDH1, IDH2 ALDH1A1 117/4885MAPT 4437/4885SMN1; SMN2 4686/4885

“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.