SCHEMBL1445812

SCHEMBL1445812

Ic1ccc(Cc2nccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX15 P16050 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLAU P00749 2/20 0.42
CYP2A6 P11509 1/20 0.42
F12 P00748 1/20 0.42
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
PDE3A Q14432 4/20 0.41
PDE10A Q9Y233 4/20 0.41
PDE3B Q13370 3/20 0.41
ACHE P22303 2/20 0.39
CYP3A4 P08684 5/20 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
SCHEMBL232662 0.86 ACHE (0.49) CYP1A2CYP2C9CYP2D6ALOX15CASP1
SCHEMBL29373118 0.86 ACHE (0.49) CYP1A2CYP2C9CYP2D6ALOX15CASP1
SCHEMBL30542089 0.84 ACHE (0.48) CYP1A2CYP2C9CYP2D6ALOX15CASP1
Bromide SCHEMBL28325156 0.84 ACHE (0.48) CYP1A2CYP2C9CYP2D6ALOX15CASP1
Hydrochloric Acid SCHEMBL7823346 0.84 ACHE (0.48) CYP1A2CYP2C9CYP2D6ALOX15CASP1
Bromide SCHEMBL5146705 0.84 ACHE (0.48) CYP1A2CYP2C9CYP2D6ALOX15CASP1
SCHEMBL1445704 0.83 CYP1A2 (0.42) CYP1A2CYP2C9CYP2D6ALOX15CASP1
SCHEMBL1446013 0.83 ACHE (0.48) CYP1A2CYP2C9CYP2D6ALOX15CASP1
SCHEMBL12403531 0.83 RAB9A (0.43) CYP1A2CYP2C9CYP2D6ALOX15CASP1
SCHEMBL1445844 0.83 CYP2A6 (0.46) CYP1A2CYP2C9CYP2D6ALOX15CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101285061-A Fungal cell wall synthetic genes EISAI R&D MAN CO LTD (JP) 2008-10-15 CN claimed
CN-1249227-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2006-04-05 CN claimed
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 US claimed
CN-1449443-A Fungal cell wall synthetic genes EISAI CO LTD (JP) 2003-10-15 CN claimed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 EP claimed
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-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-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-31 US disclosed
US-7541332-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20090117586-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-07 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 (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-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 CYP1A2 1970/4885CYP2C9 2692/4885CYP2D6 1894/4885
US-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 CYP1A2 1970/4885CYP2C9 2692/4885CYP2D6 1894/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 CYP1A2 1970/4885CYP2C9 2692/4885CYP2D6 1894/4885

“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.