SCHEMBL1445884

SCHEMBL1445884

COc1ccc(Cc2nccc3cc(Cl)c(Cl)cc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.73
▸ PDE3A Q14432 6/20 0.73
▸ PDE3B Q13370 5/20 0.73
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ PDE4A P27815 2/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ PDE4D Q08499 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ PDE2A O00408 1/20 0.56
▸ ABCC4 O15439 1/20 0.56

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
SCHEMBL1445574 0.84 PDE10A (1.00) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL10677574 0.80 PDE10A (0.61) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL1445842 0.80 PDE10A (0.81) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL1445581 0.79 PDE10A (0.67) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL1445588 0.78 PDE10A (0.66) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Water SCHEMBL28228890 0.77 PDE10A (0.64) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL1445995 0.77 PDE10A (0.64) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL1446614 0.74 PDE10A (0.60) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL1445936 0.74 PDE10A (0.60) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Ammonia Solution, Strong SCHEMBL29153964 0.73 PDE3B (0.58) PDE10APDE3APDE3BSMN1; SMN2LMNA

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

“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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