SCHEMBL1445828

SCHEMBL1445828

CNc1ccc(Cc2nccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
PDE3A Q14432 3/20 0.43
PDE10A Q9Y233 3/20 0.43
PDE3B Q13370 2/20 0.43
KDM1A O60341 1/20 0.41
CYP3A4 P08684 4/20 0.40
MAPK1 P28482 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
LMNA P02545 3/20 0.40
CYP2D6 P10635 2/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
PDE4A P27815 2/20 0.40
KCNH2 Q12809 2/20 0.40
HIF1A Q16665 2/20 0.40
PDE4D Q08499 2/20 0.40

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
SCHEMBL1445595 0.84 SMN1; SMN2 (0.39) CYP2A6PDE3APDE10APDE3BCYP3A4
SCHEMBL1445687 0.84 CYP2A6 (0.50) CYP2A6PDE3APDE10APDE3BCYP3A4
SCHEMBL1445844 0.84 CYP2A6 (0.46) CYP2A6PDE3APDE10APDE3BCYP3A4
SCHEMBL29373118 0.83 ACHE (0.49) CYP2A6PDE3APDE10APDE3BCYP3A4
SCHEMBL232662 0.83 ACHE (0.49) CYP2A6PDE3APDE10APDE3BCYP3A4
SCHEMBL1445805 0.82 HPGD (0.55) CYP2A6SMN1; SMN2LMNAALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7823346 0.82 ACHE (0.48) CYP2A6PDE3APDE10APDE3BCYP3A4
Bromide SCHEMBL5146705 0.82 ACHE (0.48) CYP2A6PDE3APDE10APDE3BCYP3A4
SCHEMBL30542089 0.82 ACHE (0.48) CYP2A6PDE3APDE10APDE3BCYP3A4
Bromide SCHEMBL28325156 0.82 ACHE (0.48) CYP2A6PDE3APDE10APDE3BCYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 US 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
US-20090098636-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2009-04-16 US disclosed
US-20080261272-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-23 US disclosed
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT, LTD. (JP) 2008-07-10 US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 US 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
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 US 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 (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-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 CYP2A6 2022/4885PDE3A 2126/4885PDE10A 2142/4885
US-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 CYP2A6 2022/4885PDE3A 2126/4885PDE10A 2142/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 CYP2A6 2053/4885PDE3A 2298/4885PDE10A 2241/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 CYP2A6 2022/4885PDE3A 2126/4885PDE10A 2142/4885

“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.