SCHEMBL4497870

SCHEMBL4497870

O=C(O)c1cc2n(n1)CCN(Cc1cccs1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.64
TDP1 Q9NUW8 1/20 0.59
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 1/20 0.41
THRB P10828 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MCHR1 Q99705 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8684605 0.73 POLB (0.56) POLBALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL13968596 0.72 POLB (0.64) POLBALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL23980136 0.69 POLB (0.52) POLBALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL7841051 0.68 SMN1; SMN2 (0.53) POLBALDH1A1CYP1A2CYP2C19PKM
SCHEMBL6077161 0.66 L3MBTL1 (0.50) POLBTDP1GAAALDH1A1CYP2C19
SCHEMBL9042235 0.66 L3MBTL1 (0.60) POLBTDP1GAAALDH1A1CYP2C19
SCHEMBL6474034 0.66 POLB (0.50) POLBALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL12284107 0.65 PKM (0.59) POLBALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL12233149 0.64 POLB (0.53) POLBGAAALDH1A1CYP1A2CYP2C19
SCHEMBL5843840 0.64 L3MBTL1 (0.56) POLBTDP1GAAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US 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 (1 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 POLB 2936/4885TDP1 2847/4885GAA 4732/4885

“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.