SCHEMBL1445595

SCHEMBL1445595

CCCNc1ccc(Cc2nccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
PDE3A Q14432 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
PDE4A P27815 2/20 0.39
KCNH2 Q12809 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE10A Q9Y233 2/20 0.39
MEN1 O00255 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 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
SCHEMBL1445828 0.84 CYP2A6 (0.43) SMN1; SMN2PDE3ACYP3A4MAPK1LMNA
SCHEMBL1445846 0.81 CYP2A6 (0.43) SMN1; SMN2PDE3ACYP3A4MAPK1LMNA
SCHEMBL1445844 0.81 CYP2A6 (0.46) SMN1; SMN2PDE3ACYP3A4MAPK1LMNA
SCHEMBL1445678 0.80 HPGD (0.50) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL1445805 0.79 HPGD (0.55) SMN1; SMN2LMNACYP2A6ALDH1A1KDM4E
SCHEMBL1445433 0.79 ACHE (0.41) SMN1; SMN2PDE3ACYP3A4MAPK1LMNA
SCHEMBL1445687 0.78 CYP2A6 (0.50) SMN1; SMN2PDE3ACYP3A4MAPK1LMNA
SCHEMBL1446097 0.78 PARP1 (0.46) SMN1; SMN2PDE3ACYP3A4MAPK1LMNA
SCHEMBL1446546 0.78 MEN1 (0.54) SMN1; SMN2CYP3A4MAPK1LMNACYP1A2
SCHEMBL1445608 0.78 TLR8 (0.41) SMN1; SMN2PDE3ACYP3A4MAPK1LMNA

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-1873002-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 CN disclosed
CN-1873003-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 SMN1; SMN2 4885/4885PDE3A 2126/4885CYP3A4 2196/4885
US-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 SMN1; SMN2 4885/4885PDE3A 2126/4885CYP3A4 2196/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 SMN1; SMN2 4885/4885PDE3A 2126/4885CYP3A4 2196/4885

“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.