SCHEMBL1446576

SCHEMBL1446576

FC(F)(F)c1ccc(Cc2nccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.51
▸ MAPT P10636 2/20 0.42
▸ APP P05067 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SMO Q99835 2/20 0.39
▸ VKORC1 Q9BQB6 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ GOPC Q9HD26 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL1445649 0.85 LMNA (0.46) MAPTACHECYP1A2CYP2D6CYP2C9
SCHEMBL1446097 0.83 PARP1 (0.46) MAPTACHECYP1A2CYP2D6CYP2C9
SCHEMBL12404470 0.82 CYP3A4 (0.51) CNR2MAPTACHESMOCYP1A2
SCHEMBL232662 0.82 ACHE (0.49) MAPTACHECYP1A2CYP2D6CYP2C9
SCHEMBL29373118 0.82 ACHE (0.49) MAPTACHECYP1A2CYP2D6CYP2C9
SCHEMBL1446003 0.81 CYP11B1 (0.48) ACHECYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL30011103 0.81 CYP11B1 (0.48) ACHECYP1A2CYP2D6CYP2C9ALOX15
Bromide SCHEMBL5146705 0.80 ACHE (0.48) MAPTACHECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7823346 0.80 ACHE (0.48) MAPTACHECYP1A2CYP2D6CYP2C9
Bromide SCHEMBL28325156 0.80 ACHE (0.48) MAPTACHECYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 — — US disclosed
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 — — US disclosed
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 — — US disclosed
US-7928209-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI R & D MANAGEMENT CO. LTD. (JP) 2011-04-19 — — US disclosed
US-7928209-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI R & D MANAGEMENT CO. LTD. (JP) 2011-04-19 — — US disclosed
US-7928209-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI R & D MANAGEMENT CO. LTD. (JP) 2011-04-19 — — US disclosed
US-7910712-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD (JP) 2011-03-22 — — US disclosed
US-7910712-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD (JP) 2011-03-22 — — US disclosed
US-7910712-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD (JP) 2011-03-22 — — US disclosed
US-7897387-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 — — US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 — — US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 — — US disclosed
CN-1873003-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 — — CN disclosed
CN-1873002-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 — — CN disclosed
US-20060234283-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 — — US disclosed
US-20060234349-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 — — US disclosed
CN-1249227-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2006-04-05 — — CN disclosed
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 — — US disclosed
CN-1449443-A Fungal cell wall synthetic genes EISAI CO LTD (JP) 2003-10-15 — — CN disclosed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 — — EP 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 (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-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 CNR2 3647/4885MAPT 4240/4885APP 4242/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 CNR2 3647/4885MAPT 4240/4885APP 4242/4885

“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.

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