SCHEMBL1445847

SCHEMBL1445847

COc1cc2ccnc(Cc3ccc(OCc4ccccc4)cc3)c2cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.75
PDE3B Q13370 6/20 0.75
PDE3A Q14432 6/20 0.75
SMN1; SMN2 Q16637 3/20 0.65
USP2 O75604 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
CYP3A4 P08684 2/20 0.65
MAPK1 P28482 2/20 0.65
HIF1A Q16665 2/20 0.65
RAB9A P51151 2/20 0.65
PDE2A O00408 1/20 0.65
ABCC4 O15439 1/20 0.65
PDE5A O76074 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65

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
SCHEMBL11845148 0.90 PDE10A (0.77) PDE10APDE3BPDE3ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL11816554 0.89 PDE10A (0.75) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL1445574 0.86 PDE10A (1.00) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL11037274 0.85 PDE10A (0.65) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL21690568 0.83 PDE10A (0.76) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL1445545 0.81 ALOX5 (0.47) PDE10APDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL2455485 0.80 PDE10A (0.74) PDE10APDE3BPDE3ASMN1; SMN2USP2
Moxaverine SCHEMBL11743108 0.80 PDE10A (0.62) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL21611898 0.80 PDE10A (0.77) PDE10APDE3BPDE3ASMN1; SMN2USP2
Papaverine SCHEMBL9551009 0.79 PDE10A (1.00) PDE10APDE3BPDE3ASMN1; SMN2USP2

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 PDE10A 2142/4885PDE3B 2130/4885PDE3A 2126/4885
US-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 PDE10A 2142/4885PDE3B 2130/4885PDE3A 2126/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 PDE10A 2241/4885PDE3B 2320/4885PDE3A 2298/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 PDE10A 2142/4885PDE3B 2130/4885PDE3A 2126/4885

“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.