SCHEMBL4155001

SCHEMBL4155001

N#Cc1cccc(Oc2ccc(CN)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAP4K4 O95819 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AR P10275 1/20 0.35
TBXAS1 P24557 1/20 0.35
EPAS1 Q99814 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL5697486 0.78 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL1680329 0.78 MAOB (0.39) MAP4K4SLC6A2SLC6A4SLC6A3LOXL2
SCHEMBL920993 0.78 ALDH1A1 (0.46) ARLOXL2CYP2E1CYP3A4CYP2A6
SCHEMBL5697487 0.78 AR (0.43) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4161373 0.78 ENPP2 (0.41) LOXL2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1680718 0.78 PNMT (0.41) SLC6A2SLC6A4SLC6A3CYP2E1CYP3A4
SCHEMBL1680519 0.78 MAOB (0.39) LOXL2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL922635 0.76 CYP2E1 (0.48) LOXL2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4154998 0.75 PRSS1 (0.43) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL506364 0.74 ST14 (0.56) PDE4APDE4BPDE4CPDE4DMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (2 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PDE4A 806/4885PDE4B 998/4885PDE4C 1018/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PDE4A 2044/4885PDE4B 2054/4885PDE4C 2308/4885

“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.